2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide

C23H23ClN2O3S — CID 30170238

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C23H23ClN2O3S/c1-16-9-11-19(13-18(16)3)25-23(27)15-26(20-12-10-17(2)22(24)14-20)30(28,29)21-7-5-4-6-8-21/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyVCHVQQXQRPKUAQ-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.10
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 30170238) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID30170238
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C
InChIInChI=1S/C23H23ClN2O3S/c1-16-9-11-19(13-18(16)3)25-23(27)15-26(20-12-10-17(2)22(24)14-20)30(28,29)21-7-5-4-6-8-21/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyVCHVQQXQRPKUAQ-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43881628
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-bromophenyl)acetamide
CID 30170255
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-fluorophenyl)acetamide
CID 1337068
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30169816
N-(3-chloro-4-methylphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343969
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 51343741
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 43881820
ethyl 5-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
CID 28636447
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 1337269
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2889961
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide (CID 30170238) is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is VCHVQQXQRPKUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-9-11-19(13-18(16)3)25-23(27)15-26(20-12-10-17(2)22(24)14-20)30(28,29)21-7-5-4-6-8-21/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 442.97 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 30170238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).