3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide

C12H11ClN4O3S — CID 81465769

IUPAC3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cccnc2Cl)c(N)c1
InChIInChI=1S/C12H11ClN4O3S/c13-11-9(2-1-5-16-11)17-21(19,20)10-4-3-7(12(15)18)6-8(10)14/h1-6,17H,14H2,(H2,15,18)
InChIKeyPJNDIGMMCWVITG-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.22
Rot. Bonds4

About 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide

3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 81465769) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
PubChem CID81465769
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2cccnc2Cl)c(N)c1
InChIInChI=1S/C12H11ClN4O3S/c13-11-9(2-1-5-16-11)17-21(19,20)10-4-3-7(12(15)18)6-8(10)14/h1-6,17H,14H2,(H2,15,18)
InChIKeyPJNDIGMMCWVITG-UHFFFAOYSA-N
XLogP1.22
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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-amino-4-(pyrimidin-2-ylsulfamoyl)benzamide
CID 81471489
2-amino-N-(2-chloro-3-pyridinyl)-4,5-dimethylbenzenesulfonamide
CID 61108863
3-amino-4-[(3-chlorophenyl)sulfamoyl]benzamide
CID 81452826
3-amino-4-(pyrazin-2-ylsulfamoyl)benzamide
CID 81470896
3-amino-N-(2-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 61108865
2,5-dichloro-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 18274556
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203
5-amino-N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80645770
dimethyl 5-[(2-chloro-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 18287797
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783
3-amino-4-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzamide
CID 104617145
5-amino-N-(2-chloro-3-pyridinyl)-1H-indole-3-sulfonamide
CID 64851484

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide (CID 81465769) is 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2cccnc2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is PJNDIGMMCWVITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c13-11-9(2-1-5-16-11)17-21(19,20)10-4-3-7(12(15)18)6-8(10)14/h1-6,17H,14H2,(H2,15,18).
What are the key properties of 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide?
3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 326.77 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-chloro-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 81465769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).