2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide

C20H17Cl2NO2S — CID 94015794

IUPAC2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C20H17Cl2NO2S/c1-14-7-9-16(10-8-14)20(15-5-3-2-4-6-15)23-26(24,25)19-13-17(21)11-12-18(19)22/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyUUYVUTHXSRMVHU-FQEVSTJZSA-N
MW406.33 g/mol
LogP5.37
Rot. Bonds5

About 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide

2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide (PubChem CID 94015794) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
PubChem CID94015794
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC Name2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C20H17Cl2NO2S/c1-14-7-9-16(10-8-14)20(15-5-3-2-4-6-15)23-26(24,25)19-13-17(21)11-12-18(19)22/h2-13,20,23H,1H3/t20-/m0/s1
InChIKeyUUYVUTHXSRMVHU-FQEVSTJZSA-N
XLogP5.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 92646276
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
2-[(2,5-dichlorophenyl)sulfonylamino]-2-phenylacetic acid
CID 71563429
N-(2-bromo-1-phenylethyl)-2,5-dichlorobenzenesulfonamide
CID 114296882
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
N-benzhydryl-2,4-dimethylbenzenesulfonamide
CID 19681706
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide (CID 94015794) is 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide is Cc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1.
What is the InChIKey of 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
The InChIKey is UUYVUTHXSRMVHU-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c1-14-7-9-16(10-8-14)20(15-5-3-2-4-6-15)23-26(24,25)19-13-17(21)11-12-18(19)22/h2-13,20,23H,1H3/t20-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide?
2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide has a molecular weight of 406.33 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 94015794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).