4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide

C16H16N2O5S2 — CID 89187439

IUPAC4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESC=C(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H16N2O5S2/c1-11(2)12-7-9-13(10-8-12)16(19)18-25(22,23)15-6-4-3-5-14(15)24(17,20)21/h3-10H,1H2,2H3,(H,18,19)(H2,17,20,21)
InChIKeyHKSFPIRPQXNMLB-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.49
Rot. Bonds5

About 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide

4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide (PubChem CID 89187439) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide
PubChem CID89187439
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide
SMILESC=C(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C16H16N2O5S2/c1-11(2)12-7-9-13(10-8-12)16(19)18-25(22,23)15-6-4-3-5-14(15)24(17,20)21/h3-10H,1H2,2H3,(H,18,19)(H2,17,20,21)
InChIKeyHKSFPIRPQXNMLB-UHFFFAOYSA-N
XLogP1.49
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-pyridin-2-ylethynyl)-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 42610407
6-pyridin-2-yl-N-(2-sulfamoylphenyl)sulfonylpyridine-3-carboxamide
CID 71013158
4-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788216
3-(3,3-dimethylbut-1-ynyl)-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 42610285
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
4-bromo-3-(2,2-difluoroethoxy)-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 59581706
4-([1,3]oxazolo[4,5-c]pyridin-2-yl)-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 42610216
N-(2-hydroxyphenyl)sulfonylacetamide
CID 130032595
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
N-[2-(prop-2-enoylamino)phenyl]sulfonylbenzamide
CID 58715998
4-cyclopentyl-2-hydroxy-N-(2-sulfamoylphenyl)sulfonylbenzamide
CID 71013104

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The IUPAC name of 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide (CID 89187439) is 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide.
What is the SMILES notation for 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The canonical SMILES for 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide is C=C(C)c1ccc(C(=O)NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
The InChIKey is HKSFPIRPQXNMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c1-11(2)12-7-9-13(10-8-12)16(19)18-25(22,23)15-6-4-3-5-14(15)24(17,20)21/h3-10H,1H2,2H3,(H,18,19)(H2,17,20,21).
What are the key properties of 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide?
4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-N-(2-sulfamoylphenyl)sulfonylbenzamide is sourced from PubChem (CID 89187439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).