2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide

C16H18N2O3S — CID 891601

IUPAC2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c1-12-8-9-13(2)15(10-12)18-16(19)11-17-22(20,21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyDAMGFAWRQZXZOB-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.22
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide

2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 891601) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide
PubChem CID891601
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N2O3S/c1-12-8-9-13(2)15(10-12)18-16(19)11-17-22(20,21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,18,19)
InChIKeyDAMGFAWRQZXZOB-UHFFFAOYSA-N
XLogP2.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide (CID 891601) is 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is DAMGFAWRQZXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-8-9-13(2)15(10-12)18-16(19)11-17-22(20,21)14-6-4-3-5-7-14/h3-10,17H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide?
2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 891601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).