2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide

C15H14Cl2N2O3S — CID 555613

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
SMILESCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-18-14(20)10-19(13-9-5-8-12(16)15(13)17)23(21,22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYOSTVJJHAASPSU-UHFFFAOYSA-N
MW373.26 g/mol
LogP2.93
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide (PubChem CID 555613) has the molecular formula C15H14Cl2N2O3S and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
PubChem CID555613
Molecular FormulaC15H14Cl2N2O3S
Molecular Weight373.26 g/mol
Exact Mass372.01
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
SMILESCNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14Cl2N2O3S/c1-18-14(20)10-19(13-9-5-8-12(16)15(13)17)23(21,22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20)
InChIKeyYOSTVJJHAASPSU-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide 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

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
CID 846509
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
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-dichloroanilino]-N-[2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-methylamino]ethyl]-N-methylacetamide
CID 21212091
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 1335821
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 4523459
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100772312
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372817
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-pyridin-3-ylacetamide
CID 51345036
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2223839
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide (CID 555613) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide is CNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide?
The InChIKey is YOSTVJJHAASPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S/c1-18-14(20)10-19(13-9-5-8-12(16)15(13)17)23(21,22)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide has a molecular weight of 373.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide is sourced from PubChem (CID 555613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).