3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide

C14H15N3O3S — CID 43710565

IUPAC3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C14H15N3O3S/c1-16-21(19,20)13-7-5-12(6-8-13)17-14(18)10-3-2-4-11(15)9-10/h2-9,16H,15H2,1H3,(H,17,18)
InChIKeyLWQQNBVSYROREL-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.43
Rot. Bonds4

About 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide

3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 43710565) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID43710565
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C14H15N3O3S/c1-16-21(19,20)13-7-5-12(6-8-13)17-14(18)10-3-2-4-11(15)9-10/h2-9,16H,15H2,1H3,(H,17,18)
InChIKeyLWQQNBVSYROREL-UHFFFAOYSA-N
XLogP1.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-[4-(methylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19257416
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
CID 26583048
3-amino-N-[4-[2-(benzenesulfonamido)propyl]phenyl]benzamide
CID 20667034
3-amino-N-(4-phenylphenyl)benzamide
CID 757806
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
3-amino-N-(4-butan-2-ylphenyl)benzamide
CID 20667037
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
1-(3-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 2954248
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 43710565) is 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1ccc(NC(=O)c2cccc(N)c2)cc1.
What is the InChIKey of 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is LWQQNBVSYROREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-16-21(19,20)13-7-5-12(6-8-13)17-14(18)10-3-2-4-11(15)9-10/h2-9,16H,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide?
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43710565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).