4-amino-N-pyridin-2-ylsulfonylbenzamide

C12H11N3O3S — CID 153322012

IUPAC4-amino-N-pyridin-2-ylsulfonylbenzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C12H11N3O3S/c13-10-6-4-9(5-7-10)12(16)15-19(17,18)11-3-1-2-8-14-11/h1-8H,13H2,(H,15,16)
InChIKeyXWGGOVCIRMLNFW-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.78
Rot. Bonds3

About 4-amino-N-pyridin-2-ylsulfonylbenzamide

4-amino-N-pyridin-2-ylsulfonylbenzamide (PubChem CID 153322012) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 4-amino-N-pyridin-2-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-amino-N-pyridin-2-ylsulfonylbenzamide
PubChem CID153322012
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name4-amino-N-pyridin-2-ylsulfonylbenzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C12H11N3O3S/c13-10-6-4-9(5-7-10)12(16)15-19(17,18)11-3-1-2-8-14-11/h1-8H,13H2,(H,15,16)
InChIKeyXWGGOVCIRMLNFW-UHFFFAOYSA-N
XLogP0.78
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
4-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788216
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CID 19808514
N-pyridin-2-ylsulfonylcyclopropanecarboxamide
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4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
CID 134124422
4-amino-N-(dipyridin-2-ylmethylideneamino)benzamide
CID 5232709
(2S,3S)-3-cyclohexyl-N-[4-(pyridin-2-ylsulfonylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 153322033
N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
N-(trifluoromethylsulfonyl)pyridine-2-sulfonamide
CID 118861928
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridin-2-ylsulfonylbenzamide?
The IUPAC name of 4-amino-N-pyridin-2-ylsulfonylbenzamide (CID 153322012) is 4-amino-N-pyridin-2-ylsulfonylbenzamide.
What is the SMILES notation for 4-amino-N-pyridin-2-ylsulfonylbenzamide?
The canonical SMILES for 4-amino-N-pyridin-2-ylsulfonylbenzamide is Nc1ccc(C(=O)NS(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of 4-amino-N-pyridin-2-ylsulfonylbenzamide?
The InChIKey is XWGGOVCIRMLNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-10-6-4-9(5-7-10)12(16)15-19(17,18)11-3-1-2-8-14-11/h1-8H,13H2,(H,15,16).
What are the key properties of 4-amino-N-pyridin-2-ylsulfonylbenzamide?
4-amino-N-pyridin-2-ylsulfonylbenzamide has a molecular weight of 277.31 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridin-2-ylsulfonylbenzamide is sourced from PubChem (CID 153322012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).