3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide

C13H12ClN3O3S — CID 81452826

IUPAC3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(N)c1
InChIInChI=1S/C13H12ClN3O3S/c14-9-2-1-3-10(7-9)17-21(19,20)12-5-4-8(13(16)18)6-11(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyAVEIBWYXBJDRCB-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide

3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide (PubChem CID 81452826) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
PubChem CID81452826
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(N)c1
InChIInChI=1S/C13H12ClN3O3S/c14-9-2-1-3-10(7-9)17-21(19,20)12-5-4-8(13(16)18)6-11(12)15/h1-7,17H,15H2,(H2,16,18)
InChIKeyAVEIBWYXBJDRCB-UHFFFAOYSA-N
XLogP1.82
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
3-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
CID 81465769
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
2-amino-N-(3-chlorophenyl)pyridine-3-sulfonamide
CID 62144853
3-amino-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 115993300
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide (CID 81452826) is 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)c(N)c1.
What is the InChIKey of 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide?
The InChIKey is AVEIBWYXBJDRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-9-2-1-3-10(7-9)17-21(19,20)12-5-4-8(13(16)18)6-11(12)15/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide?
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide has a molecular weight of 325.78 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 81452826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).