3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide

C15H14ClN3O4S — CID 9314380

IUPAC3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O4S/c16-11-3-1-2-10(8-11)15(21)18-9-14(20)19-12-4-6-13(7-5-12)24(17,22)23/h1-8H,9H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyILLONNIPMLLJKA-UHFFFAOYSA-N
MW367.81 g/mol
LogP1.36
Rot. Bonds5

About 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide

3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide (PubChem CID 9314380) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
PubChem CID9314380
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC Name3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClN3O4S/c16-11-3-1-2-10(8-11)15(21)18-9-14(20)19-12-4-6-13(7-5-12)24(17,22)23/h1-8H,9H2,(H,18,21)(H,19,20)(H2,17,22,23)
InChIKeyILLONNIPMLLJKA-UHFFFAOYSA-N
XLogP1.36
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide (CID 9314380) is 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide is NS(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
The InChIKey is ILLONNIPMLLJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c16-11-3-1-2-10(8-11)15(21)18-9-14(20)19-12-4-6-13(7-5-12)24(17,22)23/h1-8H,9H2,(H,18,21)(H,19,20)(H2,17,22,23).
What are the key properties of 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide?
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide has a molecular weight of 367.81 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide is sourced from PubChem (CID 9314380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).