2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid

C15H14N2O4S — CID 2176994

IUPAC2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid
SMILESO=C(O)C/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-14(19)11-16-15(12-7-3-1-4-8-12)17-22(20,21)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)(H,18,19)
InChIKeyKAZLKSZVKKFVST-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.50
Rot. Bonds5

About 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid

2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid (PubChem CID 2176994) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid
PubChem CID2176994
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid
SMILESO=C(O)C/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2O4S/c18-14(19)11-16-15(12-7-3-1-4-8-12)17-22(20,21)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)(H,18,19)
InChIKeyKAZLKSZVKKFVST-UHFFFAOYSA-N
XLogP1.50
TPSA95.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid 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

N-(benzenesulfonyl)-N'-(2-cyanoethyl)benzenecarboximidamide
CID 2305296
{[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid
CID 2177174
2-((1,1-Dioxo-1lambda6,2-benzothiazol-3-yl)amino)propanoic acid
CID 135413443
N-[{[(4-chlorophenyl)sulfonyl]imino}(4-fluorophenyl)methyl]glycine
CID 1866905
N-((4-fluorophenyl){[(4-methylphenyl)sulfonyl]imino}methyl)glycine
CID 2197533
2-[[[(4-Methylphenyl)sulfonylamino]-phenylmethylidene]amino]-4-methylsulfanylbutanoic acid
CID 3544033
2-[[Benzenesulfonamido(phenyl)methylidene]amino]-4-methylsulfanylbutanoic acid
CID 4165513
N-[{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]alanine
CID 2854665
2-[[[(4-Methylphenyl)sulfonylamino]-phenylmethylidene]amino]propanoic acid
CID 2873199
4-methyl-N'-[({methyl[(4-methylphenyl)sulfonyl]amino}acetyl)oxy]benzenecarboximidamide
CID 9587724
CBMicro_025929
CID 2855210
2-(N'-((4-chlorophenyl)sulfonyl)benzimidamido)acetic acid
CID 1846604

Frequently Asked Questions

What is the IUPAC name of 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid?
The IUPAC name of 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid (CID 2176994) is 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid is O=C(O)C/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid?
The InChIKey is KAZLKSZVKKFVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c18-14(19)11-16-15(12-7-3-1-4-8-12)17-22(20,21)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)(H,18,19).
What are the key properties of 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid?
2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzenesulfonamido(phenyl)methylidene]amino]acetic acid is sourced from PubChem (CID 2176994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).