4-amino-N-(4-sulfamoylphenyl)benzamide

C13H13N3O3S — CID 24692821

IUPAC4-amino-N-(4-sulfamoylphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
InChIKeyGKFZCIMPMVFMLY-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.17
Rot. Bonds3

About 4-amino-N-(4-sulfamoylphenyl)benzamide

4-amino-N-(4-sulfamoylphenyl)benzamide (PubChem CID 24692821) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-amino-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-sulfamoylphenyl)benzamide
PubChem CID24692821
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name4-amino-N-(4-sulfamoylphenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19)
InChIKeyGKFZCIMPMVFMLY-UHFFFAOYSA-N
XLogP1.17
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfabenzamide
CID 5319
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
2,2'-Dithiobis-(N-(4-sulfamoylphenyl)-benzamide)
CID 375084
4,4'-Diaminobenzanilide
CID 69917
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
4-Benzenesulfonylamino-N-hydroxy-benzamide
CID 44328873
2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3656150
4-Amino-N-phenylbenzamide
CID 69910
N-(4-(Aminosulfonyl)phenyl)-4-tert-butylbenzamide
CID 315810
N,N-Dimethyl-2-aminosulfonyl-4-formamidobenzamide
CID 15240549
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-amino-N-(4-sulfamoylphenyl)benzamide (CID 24692821) is 4-amino-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(4-sulfamoylphenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is GKFZCIMPMVFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)20(15,18)19/h1-8H,14H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-amino-N-(4-sulfamoylphenyl)benzamide?
4-amino-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 291.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 24692821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).