2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide

C16H16ClNO3S — CID 7544014

IUPAC2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO3S/c1-11-7-12(2)9-14(8-11)18-16(19)10-22(20,21)15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUGQKRDQCQAGGQH-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide

2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 7544014) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID7544014
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO3S/c1-11-7-12(2)9-14(8-11)18-16(19)10-22(20,21)15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyUGQKRDQCQAGGQH-UHFFFAOYSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
2-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 25392753
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
N-(3-acetamido-4-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 35348603
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
2-(4-chlorophenyl)sulfonyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7544010
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
2-(4-chlorophenyl)sulfonyl-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41360617

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide (CID 7544014) is 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is UGQKRDQCQAGGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-11-7-12(2)9-14(8-11)18-16(19)10-22(20,21)15-5-3-13(17)4-6-15/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 7544014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).