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1-Piperidinesulfonamide,N-(3-methylphenyl)- 5432-36-0 98%
【Name】
1-Piperidinesulfonamide,N-(3-methylphenyl)-
【CAS Registry number】
5432-36-0
【Synonyms】
1-Piperidinesulfono-m-toluidide(6CI)
NSC 13806
【Molecular Formula】
C12H18 N2 O2 S (Products with the same molecular formula)
【Molecular Weight】
254.3485
【Inchi】
InChI=1/C12H18N2O2S/c1-11-6-5-7-12(10-11)13-17(15,16)14-8-3-2-4-9-14/h5-7,10,13H,2-4,8-9H2,1H3
【Canonical SMILES】
CC1=CC(=CC=C1)NS(=O)(=O)N2CCCCC2
Chemical and Physical Properties
【Density】
1.25g/cm3
【Boiling Point】
386.2°C at 760 mmHg
【Refractive Index】
1.591
【Flash Point】
187.3°C
【Computed Properties】
Molecular Weight:254.34852 [g/mol]
Molecular Formula:C12H18N2O2S
XLogP3-AA:2
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:3
Exact Mass:254.108899
MonoIsotopic Mass:254.108899
Topological Polar Surface Area:57.8
Heavy Atom Count:17
Formal Charge:0
Complexity:331
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:133
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