3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide

C14H15N3O3S — CID 61107665

IUPAC3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-9-7-11(15)5-6-13(9)21(19,20)17-12-4-2-3-10(8-12)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeyZFEOOUHGMJITQM-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.48
Rot. Bonds4

About 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide

3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide (PubChem CID 61107665) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
PubChem CID61107665
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H15N3O3S/c1-9-7-11(15)5-6-13(9)21(19,20)17-12-4-2-3-10(8-12)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18)
InChIKeyZFEOOUHGMJITQM-UHFFFAOYSA-N
XLogP1.48
TPSA115.28 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 ≤ 51.48
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

3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
3-[(4-methoxy-2-methylphenyl)sulfonylamino]benzamide
CID 87026601
3-[(2-amino-4-fluorophenyl)sulfonylamino]benzamide
CID 61105800
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
3-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 61107535
3-[(2-amino-5-fluorophenyl)sulfonylamino]benzamide
CID 61107352
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
3-[(2,4,5-trimethylphenyl)sulfonylamino]benzoate
CID 7720276
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
3-(sulfamoylamino)benzamide
CID 57051238
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 1266797

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide (CID 61107665) is 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide is Cc1cc(N)ccc1S(=O)(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZFEOOUHGMJITQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-7-11(15)5-6-13(9)21(19,20)17-12-4-2-3-10(8-12)14(16)18/h2-8,17H,15H2,1H3,(H2,16,18).
What are the key properties of 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide?
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide has a molecular weight of 305.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 61107665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).