5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

C27H23ClN2O3S — CID 30390651

IUPAC5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C27H23ClN2O3S/c1-19-12-14-21(15-13-19)26(20-8-4-2-5-9-20)29-27(31)24-18-22(16-17-25(24)28)30-34(32,33)23-10-6-3-7-11-23/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1
InChIKeyWQPKTEUMJWLMQY-SANMLTNESA-N
MW491.01 g/mol
LogP5.97
Rot. Bonds7

About 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide

5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 30390651) has the molecular formula C27H23ClN2O3S and a molecular weight of 491.01 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID30390651
Molecular FormulaC27H23ClN2O3S
Molecular Weight491.01 g/mol
Exact Mass490.11
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc([C@@H](NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C27H23ClN2O3S/c1-19-12-14-21(15-13-19)26(20-8-4-2-5-9-20)29-27(31)24-18-22(16-17-25(24)28)30-34(32,33)23-10-6-3-7-11-23/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1
InChIKeyWQPKTEUMJWLMQY-SANMLTNESA-N
XLogP5.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 28576591
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
4-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 99949871
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
2-chloro-N-[(1R)-1-(4-methoxyphenyl)propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92680132
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide (CID 30390651) is 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc([C@@H](NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c2ccccc2)cc1.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is WQPKTEUMJWLMQY-SANMLTNESA-N. The full InChI is InChI=1S/C27H23ClN2O3S/c1-19-12-14-21(15-13-19)26(20-8-4-2-5-9-20)29-27(31)24-18-22(16-17-25(24)28)30-34(32,33)23-10-6-3-7-11-23/h2-18,26,30H,1H3,(H,29,31)/t26-/m0/s1.
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide?
5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 491.01 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 30390651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).