N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide

C15H13ClN2O2S — CID 86043324

IUPACN-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1C#N
InChIInChI=1S/C15H13ClN2O2S/c1-11-5-4-8-15(13(11)9-17)21(19,20)18-10-12-6-2-3-7-14(12)16/h2-8,18H,10H2,1H3
InChIKeyQMXZCTWUOWVSQN-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.00
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide (PubChem CID 86043324) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide
PubChem CID86043324
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1C#N
InChIInChI=1S/C15H13ClN2O2S/c1-11-5-4-8-15(13(11)9-17)21(19,20)18-10-12-6-2-3-7-14(12)16/h2-8,18H,10H2,1H3
InChIKeyQMXZCTWUOWVSQN-UHFFFAOYSA-N
XLogP3.00
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-3-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 86043325
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
N-(4-aminobutyl)-2-cyano-3-methylbenzenesulfonamide;hydrochloride
CID 120583368
2-cyano-N-methoxy-3-methylbenzenesulfonamide
CID 86043278
2-cyano-3-methyl-N-pentan-3-ylbenzenesulfonamide
CID 86043309
2,4-dichloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 125467959
2,6-dichloro-N-[[2-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 24603139
2-cyano-3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956176
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
2-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 146256445
3-chloro-2-cyano-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716507
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide (CID 86043324) is N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCc2ccccc2Cl)c1C#N.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide?
The InChIKey is QMXZCTWUOWVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-11-5-4-8-15(13(11)9-17)21(19,20)18-10-12-6-2-3-7-14(12)16/h2-8,18H,10H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide has a molecular weight of 320.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-cyano-3-methylbenzenesulfonamide is sourced from PubChem (CID 86043324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).