2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide

C21H18Cl2N2O3S — CID 21372817

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-15-8-5-6-13-19(15)25(29(27,28)16-9-3-2-4-10-16)14-20(26)24-18-12-7-11-17(22)21(18)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMACIXZBAGPAIAC-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.14
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 21372817) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
PubChem CID21372817
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-15-8-5-6-13-19(15)25(29(27,28)16-9-3-2-4-10-16)14-20(26)24-18-12-7-11-17(22)21(18)23/h2-13H,14H2,1H3,(H,24,26)
InChIKeyMACIXZBAGPAIAC-UHFFFAOYSA-N
XLogP5.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 1335821
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 126271164
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dimethylphenyl)acetamide
CID 1311343
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2-methylphenyl)acetamide
CID 1334553
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 2111548
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372113
N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(2-phenylphenyl)acetamide
CID 1265574
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide (CID 21372817) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide is Cc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is MACIXZBAGPAIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-15-8-5-6-13-19(15)25(29(27,28)16-9-3-2-4-10-16)14-20(26)24-18-12-7-11-17(22)21(18)23/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 449.36 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 21372817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).