2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide

C10H11ClN2O4S — CID 14932830

IUPAC2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C10H11ClN2O4S/c1-7-2-4-8(5-3-7)18(16,17)13-10(15)12-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyTZUWACBVCSGBMB-UHFFFAOYSA-N
MW290.73 g/mol
LogP0.75
Rot. Bonds3

About 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide

2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide (PubChem CID 14932830) has the molecular formula C10H11ClN2O4S and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
PubChem CID14932830
Molecular FormulaC10H11ClN2O4S
Molecular Weight290.73 g/mol
Exact Mass290.01
IUPAC Name2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)NC(=O)CCl)cc1
InChIInChI=1S/C10H11ClN2O4S/c1-7-2-4-8(5-3-7)18(16,17)13-10(15)12-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyTZUWACBVCSGBMB-UHFFFAOYSA-N
XLogP0.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide (CID 14932830) is 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide is Cc1ccc(S(=O)(=O)NC(=O)NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
The InChIKey is TZUWACBVCSGBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4S/c1-7-2-4-8(5-3-7)18(16,17)13-10(15)12-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide?
2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide has a molecular weight of 290.73 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylphenyl)sulfonylcarbamoyl]acetamide is sourced from PubChem (CID 14932830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).