2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate

C16H15N2O4S- — CID 7164051

IUPAC2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
SMILESCc1ccc(S(=O)(=O)N/C(=N/CC(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C16H16N2O4S/c1-12-7-9-14(10-8-12)23(21,22)18-16(17-11-15(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyBBMKBRWNSVJSAF-UHFFFAOYSA-M
MW331.37 g/mol
LogP0.47
Rot. Bonds5

About 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate

2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate (PubChem CID 7164051) has the molecular formula C16H15N2O4S- and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate.

Molecular Properties

Compound Name2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
PubChem CID7164051
Molecular FormulaC16H15N2O4S-
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
SMILESCc1ccc(S(=O)(=O)N/C(=N/CC(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C16H16N2O4S/c1-12-7-9-14(10-8-12)23(21,22)18-16(17-11-15(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)(H,19,20)/p-1
InChIKeyBBMKBRWNSVJSAF-UHFFFAOYSA-M
XLogP0.47
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate 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

(2S)-2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]propanoate
CID 7472553
N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 3514861
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
3-[[benzenesulfonamido(phenyl)methylidene]amino]propanoic acid
CID 2196031
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
(E)-3-(2-methylphenyl)-N-(4-methylphenyl)sulfonyl-2-phenylprop-2-enamide
CID 164665573
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419
1-benzamido-3-(4-methylphenyl)sulfonylurea
CID 4142958
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
CID 3787959
4-methyl-N-[2-[[2-[2-[(4-methylphenyl)sulfonylamino]ethylimino]-1,2-diphenylethylidene]amino]ethyl]benzenesulfonamide
CID 101498750
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate?
The IUPAC name of 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate (CID 7164051) is 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate.
What is the SMILES notation for 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate?
The canonical SMILES for 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate is Cc1ccc(S(=O)(=O)N/C(=N/CC(=O)[O-])c2ccccc2)cc1.
What is the InChIKey of 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate?
The InChIKey is BBMKBRWNSVJSAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O4S/c1-12-7-9-14(10-8-12)23(21,22)18-16(17-11-15(19)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate?
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate has a molecular weight of 331.37 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate is sourced from PubChem (CID 7164051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).