2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide

C27H23ClN2O3S — CID 1314332

IUPAC2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H23ClN2O3S/c1-20-18-22(28)16-17-26(20)30(34(32,33)23-12-6-3-7-13-23)19-27(31)29-25-15-9-8-14-24(25)21-10-4-2-5-11-21/h2-18H,19H2,1H3,(H,29,31)
InChIKeyMTZPKOMGAOQBFN-UHFFFAOYSA-N
MW491.01 g/mol
LogP6.15
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide

2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide (PubChem CID 1314332) has the molecular formula C27H23ClN2O3S and a molecular weight of 491.01 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
PubChem CID1314332
Molecular FormulaC27H23ClN2O3S
Molecular Weight491.01 g/mol
Exact Mass490.11
IUPAC Name2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide
SMILESCc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H23ClN2O3S/c1-20-18-22(28)16-17-26(20)30(34(32,33)23-12-6-3-7-13-23)19-27(31)29-25-15-9-8-14-24(25)21-10-4-2-5-11-21/h2-18H,19H2,1H3,(H,29,31)
InChIKeyMTZPKOMGAOQBFN-UHFFFAOYSA-N
XLogP6.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.01
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2-phenylphenyl)acetamide
CID 1265574
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126130122
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-phenylphenyl)acetamide
CID 126129468
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343222
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]acetamide
CID 43892948
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2-phenylphenyl)acetamide
CID 126139478
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 30172363
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2278594
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126120164

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide (CID 1314332) is 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide is Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide?
The InChIKey is MTZPKOMGAOQBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O3S/c1-20-18-22(28)16-17-26(20)30(34(32,33)23-12-6-3-7-13-23)19-27(31)29-25-15-9-8-14-24(25)21-10-4-2-5-11-21/h2-18H,19H2,1H3,(H,29,31).
What are the key properties of 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide has a molecular weight of 491.01 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1314332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).