2-[(3-aminophenyl)sulfonylmethyl]benzamide

C14H14N2O3S — CID 81180661

IUPAC2-[(3-aminophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1ccccc1CS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H14N2O3S/c15-11-5-3-6-12(8-11)20(18,19)9-10-4-1-2-7-13(10)14(16)17/h1-8H,9,15H2,(H2,16,17)
InChIKeyDRKCLPUJTLGHLY-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.34
Rot. Bonds4

About 2-[(3-aminophenyl)sulfonylmethyl]benzamide

2-[(3-aminophenyl)sulfonylmethyl]benzamide (PubChem CID 81180661) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[(3-aminophenyl)sulfonylmethyl]benzamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)sulfonylmethyl]benzamide
PubChem CID81180661
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name2-[(3-aminophenyl)sulfonylmethyl]benzamide
SMILESNC(=O)c1ccccc1CS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H14N2O3S/c15-11-5-3-6-12(8-11)20(18,19)9-10-4-1-2-7-13(10)14(16)17/h1-8H,9,15H2,(H2,16,17)
InChIKeyDRKCLPUJTLGHLY-UHFFFAOYSA-N
XLogP1.34
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-aminophenyl)sulfonylmethyl]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

2-[(4-amino-2-fluorophenyl)sulfonylmethyl]benzamide
CID 81185011
3-(3-aminophenyl)sulfonylpropanamide
CID 81180746
2-[(4-aminophenyl)sulfonylmethyl]-4-hydroxybenzamide
CID 157028392
methyl 2-[(3-fluorophenyl)sulfonylmethyl]benzoate
CID 82957935
3-[(4-fluoro-2-methylphenyl)methylsulfonyl]aniline
CID 114350191
3-[(3-methylphenyl)methylsulfonyl]aniline
CID 81180300
2-[(2-carbamothioylphenyl)methylsulfonylamino]acetamide
CID 28518424
3-(2-ethylsulfonylethylsulfonyl)aniline
CID 81180203
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
3-(benzenesulfonylmethyl)-4-chloroaniline
CID 43382284
3-aminobenzenesulfonic acid;azane
CID 173113808
bis(3-aminobenzenesulfonic acid);sulfane
CID 175800902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)sulfonylmethyl]benzamide?
The IUPAC name of 2-[(3-aminophenyl)sulfonylmethyl]benzamide (CID 81180661) is 2-[(3-aminophenyl)sulfonylmethyl]benzamide.
What is the SMILES notation for 2-[(3-aminophenyl)sulfonylmethyl]benzamide?
The canonical SMILES for 2-[(3-aminophenyl)sulfonylmethyl]benzamide is NC(=O)c1ccccc1CS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)sulfonylmethyl]benzamide?
The InChIKey is DRKCLPUJTLGHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c15-11-5-3-6-12(8-11)20(18,19)9-10-4-1-2-7-13(10)14(16)17/h1-8H,9,15H2,(H2,16,17).
What are the key properties of 2-[(3-aminophenyl)sulfonylmethyl]benzamide?
2-[(3-aminophenyl)sulfonylmethyl]benzamide has a molecular weight of 290.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)sulfonylmethyl]benzamide is sourced from PubChem (CID 81180661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).