2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide

C21H17Cl2N3O4S — CID 126032099

IUPAC2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17Cl2N3O4S/c22-17-11-10-14(12-18(17)23)26(31(29,30)15-6-2-1-3-7-15)13-20(27)25-19-9-5-4-8-16(19)21(24)28/h1-12H,13H2,(H2,24,28)(H,25,27)
InChIKeyWMCINZPGYSBGMP-UHFFFAOYSA-N
MW478.36 g/mol
LogP3.93
Rot. Bonds7

About 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide

2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide (PubChem CID 126032099) has the molecular formula C21H17Cl2N3O4S and a molecular weight of 478.36 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide
PubChem CID126032099
Molecular FormulaC21H17Cl2N3O4S
Molecular Weight478.36 g/mol
Exact Mass477.03
IUPAC Name2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H17Cl2N3O4S/c22-17-11-10-14(12-18(17)23)26(31(29,30)15-6-2-1-3-7-15)13-20(27)25-19-9-5-4-8-16(19)21(24)28/h1-12H,13H2,(H2,24,28)(H,25,27)
InChIKeyWMCINZPGYSBGMP-UHFFFAOYSA-N
XLogP3.93
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]amino]-2-methylbenzamide
CID 53281172
2-[[2-[N-(benzenesulfonyl)-4-bromoanilino]acetyl]amino]benzamide
CID 126032170
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 126322952
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetamide
CID 1357141
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,5-dimethylphenyl)acetamide
CID 2889396
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126416060
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(2-chlorophenyl)acetamide
CID 1076718
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
2-[[2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]-N-benzylbenzamide
CID 126035791
2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]benzoate
CID 2280082
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126034145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide (CID 126032099) is 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide?
The InChIKey is WMCINZPGYSBGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4S/c22-17-11-10-14(12-18(17)23)26(31(29,30)15-6-2-1-3-7-15)13-20(27)25-19-9-5-4-8-16(19)21(24)28/h1-12H,13H2,(H2,24,28)(H,25,27).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide?
2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide has a molecular weight of 478.36 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzamide is sourced from PubChem (CID 126032099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).