N-(4-benzylphenyl)-3-chlorobenzenesulfonamide

C19H16ClNO2S — CID 134144424

IUPACN-(4-benzylphenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO2S/c20-17-7-4-8-19(14-17)24(22,23)21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15/h1-12,14,21H,13H2
InChIKeyTVUCPMJCZMWCDN-UHFFFAOYSA-N
MW357.86 g/mol
LogP4.73
Rot. Bonds5

About N-(4-benzylphenyl)-3-chlorobenzenesulfonamide

N-(4-benzylphenyl)-3-chlorobenzenesulfonamide (PubChem CID 134144424) has the molecular formula C19H16ClNO2S and a molecular weight of 357.86 g/mol. Its IUPAC name is N-(4-benzylphenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzylphenyl)-3-chlorobenzenesulfonamide
PubChem CID134144424
Molecular FormulaC19H16ClNO2S
Molecular Weight357.86 g/mol
Exact Mass357.06
IUPAC NameN-(4-benzylphenyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H16ClNO2S/c20-17-7-4-8-19(14-17)24(22,23)21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15/h1-12,14,21H,13H2
InChIKeyTVUCPMJCZMWCDN-UHFFFAOYSA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(4-benzylphenyl)-3-chlorobenzenesulfonamide (CID 134144424) is N-(4-benzylphenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-benzylphenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-benzylphenyl)-3-chlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cc2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-(4-benzylphenyl)-3-chlorobenzenesulfonamide?
The InChIKey is TVUCPMJCZMWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2S/c20-17-7-4-8-19(14-17)24(22,23)21-18-11-9-16(10-12-18)13-15-5-2-1-3-6-15/h1-12,14,21H,13H2.
What are the key properties of N-(4-benzylphenyl)-3-chlorobenzenesulfonamide?
N-(4-benzylphenyl)-3-chlorobenzenesulfonamide has a molecular weight of 357.86 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 134144424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).