4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide

C12H11ClN4O3S — CID 146301354

IUPAC4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1S(N)(=O)=O
InChIInChI=1S/C12H11ClN4O3S/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(5-7)21(15,19)20/h1-6H,14H2,(H,17,18)(H2,15,19,20)
InChIKeyIABFAKHXOVRWBJ-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.22
Rot. Bonds3

About 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide

4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide (PubChem CID 146301354) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide
PubChem CID146301354
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide
SMILESNc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1S(N)(=O)=O
InChIInChI=1S/C12H11ClN4O3S/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(5-7)21(15,19)20/h1-6H,14H2,(H,17,18)(H2,15,19,20)
InChIKeyIABFAKHXOVRWBJ-UHFFFAOYSA-N
XLogP1.22
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 78929782
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
2-amino-N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 150110924
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
6-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 113226989
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide?
The IUPAC name of 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide (CID 146301354) is 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide is Nc1ccc(C(=O)Nc2ccc(Cl)nc2)cc1S(N)(=O)=O.
What is the InChIKey of 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide?
The InChIKey is IABFAKHXOVRWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c13-11-4-2-8(6-16-11)17-12(18)7-1-3-9(14)10(5-7)21(15,19)20/h1-6H,14H2,(H,17,18)(H2,15,19,20).
What are the key properties of 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide?
4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide has a molecular weight of 326.77 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-3-pyridinyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 146301354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).