2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide

C15H15ClN2O3S — CID 846509

IUPAC2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
SMILESCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClN2O3S/c1-17-15(19)11-18(14-10-6-5-9-13(14)16)22(20,21)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyIEOXDAOIPSKKSQ-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.28
Rot. Bonds5

About 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide

2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide (PubChem CID 846509) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
PubChem CID846509
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide
SMILESCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15ClN2O3S/c1-17-15(19)11-18(14-10-6-5-9-13(14)16)22(20,21)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyIEOXDAOIPSKKSQ-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-methylbutan-2-yl)acetamide
CID 133240413
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2279103
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-ethylphenyl)acetamide
CID 1098076
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2-methoxyethyl)acetamide
CID 3139242
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 21371880
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92646148
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1338814
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-tert-butylacetamide
CID 4200682
(2S)-2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]-benzylamino]-N-methylpropanamide
CID 100561971
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 126119507
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 1317744

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide (CID 846509) is 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide is CNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide?
The InChIKey is IEOXDAOIPSKKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-17-15(19)11-18(14-10-6-5-9-13(14)16)22(20,21)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide?
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-methylacetamide has a molecular weight of 338.82 g/mol, XLogP of 2.28, 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-chloroanilino]-N-methylacetamide is sourced from PubChem (CID 846509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).