2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide

C13H12ClN3O3S — CID 115539982

IUPAC2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H12ClN3O3S/c14-11-6-2-5-10(12(11)15)13(18)17-8-3-1-4-9(7-8)21(16,19)20/h1-7H,15H2,(H,17,18)(H2,16,19,20)
InChIKeyBJOWCMNQOUDKKK-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide

2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide (PubChem CID 115539982) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
PubChem CID115539982
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H12ClN3O3S/c14-11-6-2-5-10(12(11)15)13(18)17-8-3-1-4-9(7-8)21(16,19)20/h1-7H,15H2,(H,17,18)(H2,16,19,20)
InChIKeyBJOWCMNQOUDKKK-UHFFFAOYSA-N
XLogP1.82
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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-amino-3-chloro-N-(3-iodophenyl)benzamide
CID 113331655
2-chloro-N-(3-fluoro-5-sulfamoylphenyl)benzamide
CID 61132724
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-amino-3-chloro-N-(3,5-difluorophenyl)benzamide
CID 115539928
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 43337194
3-[(2-chloro-5-sulfamoylbenzoyl)amino]benzoic acid
CID 1144108
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide (CID 115539982) is 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide is Nc1c(Cl)cccc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is BJOWCMNQOUDKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-11-6-2-5-10(12(11)15)13(18)17-8-3-1-4-9(7-8)21(16,19)20/h1-7H,15H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide?
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 325.78 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 115539982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).