2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide

C16H17NO3S — CID 892534

IUPAC2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3S/c1-12-8-13(2)10-14(9-12)17-16(18)11-21(19,20)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyVTPRSVVSNXBKTP-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.72
Rot. Bonds4

About 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide

2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 892534) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID892534
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H17NO3S/c1-12-8-13(2)10-14(9-12)17-16(18)11-21(19,20)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyVTPRSVVSNXBKTP-UHFFFAOYSA-N
XLogP2.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide (CID 892534) is 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is VTPRSVVSNXBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-12-8-13(2)10-14(9-12)17-16(18)11-21(19,20)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide?
2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 303.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 892534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).