5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide

C9H13ClN4O3S — CID 107194123

IUPAC5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCS(N)(=O)=O
InChIInChI=1S/C9H13ClN4O3S/c10-7-4-5(11)3-6(9(12)15)8(7)14-1-2-18(13,16)17/h3-4,14H,1-2,11H2,(H2,12,15)(H2,13,16,17)
InChIKeyNRIDMTVSFUGUBM-UHFFFAOYSA-N
MW292.75 g/mol
LogP-0.28
Rot. Bonds5

About 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide

5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide (PubChem CID 107194123) has the molecular formula C9H13ClN4O3S and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
PubChem CID107194123
Molecular FormulaC9H13ClN4O3S
Molecular Weight292.75 g/mol
Exact Mass292.04
IUPAC Name5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCCS(N)(=O)=O
InChIInChI=1S/C9H13ClN4O3S/c10-7-4-5(11)3-6(9(12)15)8(7)14-1-2-18(13,16)17/h3-4,14H,1-2,11H2,(H2,12,15)(H2,13,16,17)
InChIKeyNRIDMTVSFUGUBM-UHFFFAOYSA-N
XLogP-0.28
TPSA141.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide 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

5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-[2-(dimethylamino)ethylamino]benzamide
CID 107192487
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106341908
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
5-amino-3-chloro-2-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114128998
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
5-amino-3-chloro-2-[2-(2-methylpropoxy)ethylamino]benzamide
CID 107196857
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide (CID 107194123) is 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1NCCS(N)(=O)=O.
What is the InChIKey of 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide?
The InChIKey is NRIDMTVSFUGUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O3S/c10-7-4-5(11)3-6(9(12)15)8(7)14-1-2-18(13,16)17/h3-4,14H,1-2,11H2,(H2,12,15)(H2,13,16,17).
What are the key properties of 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide?
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide has a molecular weight of 292.75 g/mol, XLogP of -0.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide is sourced from PubChem (CID 107194123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).