2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide

C13H12ClN3O3S — CID 60986317

IUPAC2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H12ClN3O3S/c14-8-5-6-10(15)12(7-8)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyGCORPFCYWZXYIO-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.82
Rot. Bonds4

About 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide

2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide (PubChem CID 60986317) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
PubChem CID60986317
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H12ClN3O3S/c14-8-5-6-10(15)12(7-8)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,15H2,(H2,16,18)
InChIKeyGCORPFCYWZXYIO-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

2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
N-(2-aminophenyl)-2,5-dichlorobenzenesulfonamide
CID 43344025
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
CID 29302580

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide (CID 60986317) is 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide is NC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is GCORPFCYWZXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-8-5-6-10(15)12(7-8)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,15H2,(H2,16,18).
What are the key properties of 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide?
2-[(2-amino-5-chlorophenyl)sulfonylamino]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 2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 60986317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).