2-amino-3-(benzenesulfonyl)benzamide

C13H12N2O3S — CID 66736112

IUPAC2-amino-3-(benzenesulfonyl)benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C13H12N2O3S/c14-12-10(13(15)16)7-4-8-11(12)19(17,18)9-5-2-1-3-6-9/h1-8H,14H2,(H2,15,16)
InChIKeyURALRDVZURAKQM-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-3-(benzenesulfonyl)benzamide

2-amino-3-(benzenesulfonyl)benzamide (PubChem CID 66736112) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-amino-3-(benzenesulfonyl)benzamide.

Molecular Properties

Compound Name2-amino-3-(benzenesulfonyl)benzamide
PubChem CID66736112
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-amino-3-(benzenesulfonyl)benzamide
SMILESNC(=O)c1cccc(S(=O)(=O)c2ccccc2)c1N
InChIInChI=1S/C13H12N2O3S/c14-12-10(13(15)16)7-4-8-11(12)19(17,18)9-5-2-1-3-6-9/h1-8H,14H2,(H2,15,16)
InChIKeyURALRDVZURAKQM-UHFFFAOYSA-N
XLogP1.20
TPSA103.25 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(benzenesulfonyl)benzamide?
The IUPAC name of 2-amino-3-(benzenesulfonyl)benzamide (CID 66736112) is 2-amino-3-(benzenesulfonyl)benzamide.
What is the SMILES notation for 2-amino-3-(benzenesulfonyl)benzamide?
The canonical SMILES for 2-amino-3-(benzenesulfonyl)benzamide is NC(=O)c1cccc(S(=O)(=O)c2ccccc2)c1N.
What is the InChIKey of 2-amino-3-(benzenesulfonyl)benzamide?
The InChIKey is URALRDVZURAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-12-10(13(15)16)7-4-8-11(12)19(17,18)9-5-2-1-3-6-9/h1-8H,14H2,(H2,15,16).
What are the key properties of 2-amino-3-(benzenesulfonyl)benzamide?
2-amino-3-(benzenesulfonyl)benzamide has a molecular weight of 276.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(benzenesulfonyl)benzamide is sourced from PubChem (CID 66736112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).