2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide

C23H23ClN2O3S — CID 30170212

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide
SMILESCc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C23H23ClN2O3S/c1-18-13-14-20(15-22(18)24)26(30(28,29)21-11-7-4-8-12-21)17-23(27)25(2)16-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3
InChIKeyOMOLMKVZGXKSOQ-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.50
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide (PubChem CID 30170212) 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-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide
PubChem CID30170212
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide
SMILESCc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C23H23ClN2O3S/c1-18-13-14-20(15-22(18)24)26(30(28,29)21-11-7-4-8-12-21)17-23(27)25(2)16-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3
InChIKeyOMOLMKVZGXKSOQ-UHFFFAOYSA-N
XLogP4.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 30380361
N-[(4-chlorophenyl)methyl]-2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-methylacetamide
CID 92676638
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 43909813
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 92675301
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]-benzylamino]-N-(2-methylpropyl)butanamide
CID 132743260
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-cyclopentyl-N-methylacetamide
CID 92684263
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132692298
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132643762
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-benzyl-N-methylacetamide
CID 30169202
2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethylbutanamide
CID 132692297
(2R)-2-[[2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 125070464
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 92684925

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide (CID 30170212) is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide is Cc1ccc(N(CC(=O)N(C)Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide?
The InChIKey is OMOLMKVZGXKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-18-13-14-20(15-22(18)24)26(30(28,29)21-11-7-4-8-12-21)17-23(27)25(2)16-19-9-5-3-6-10-19/h3-15H,16-17H2,1-2H3.
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide has a molecular weight of 442.97 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 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-benzyl-N-methylacetamide is sourced from PubChem (CID 30170212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).