4-amino-N-(benzenesulfonyl)benzamide

C13H12N2O3S — CID 12876556

IUPAC4-amino-N-(benzenesulfonyl)benzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
InChIKeyRQIOJOHMHGTMCH-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.39
Rot. Bonds3

About 4-amino-N-(benzenesulfonyl)benzamide

4-amino-N-(benzenesulfonyl)benzamide (PubChem CID 12876556) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-amino-N-(benzenesulfonyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(benzenesulfonyl)benzamide
PubChem CID12876556
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name4-amino-N-(benzenesulfonyl)benzamide
SMILESNc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C13H12N2O3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16)
InChIKeyRQIOJOHMHGTMCH-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788216
N-(4-aminophenyl)sulfonyl-4-methoxybenzamide
CID 90673049
4-amino-N-(benzenesulfonyl)-3-bromobenzamide
CID 103308919
3-amino-N-(benzenesulfonyl)-5-bromobenzamide
CID 103308875
4-amino-N-pyridin-2-ylsulfonylbenzamide
CID 153322012
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
N-(benzenesulfonyl)-4-(2,4,4-trimethylpentan-2-yl)benzamide
CID 22356861
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
4-phenoxy-N-(4-phenylphenyl)sulfonylbenzamide
CID 53473228
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(benzenesulfonyl)benzamide?
The IUPAC name of 4-amino-N-(benzenesulfonyl)benzamide (CID 12876556) is 4-amino-N-(benzenesulfonyl)benzamide.
What is the SMILES notation for 4-amino-N-(benzenesulfonyl)benzamide?
The canonical SMILES for 4-amino-N-(benzenesulfonyl)benzamide is Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(benzenesulfonyl)benzamide?
The InChIKey is RQIOJOHMHGTMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-11-8-6-10(7-9-11)13(16)15-19(17,18)12-4-2-1-3-5-12/h1-9H,14H2,(H,15,16).
What are the key properties of 4-amino-N-(benzenesulfonyl)benzamide?
4-amino-N-(benzenesulfonyl)benzamide has a molecular weight of 276.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(benzenesulfonyl)benzamide is sourced from PubChem (CID 12876556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).