4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate

C14H13N2O3S- — CID 4744543

IUPAC4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
SMILES[H]/N=C(\[O-])c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-10-2-8-13(9-3-10)20(18,19)16-12-6-4-11(5-7-12)14(15)17/h2-9,16H,1H3,(H2,15,17)/p-1
InChIKeyOEPGVBWEPKWNEP-UHFFFAOYSA-M
MW289.34 g/mol
LogP1.48
Rot. Bonds4

About 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate

4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate (PubChem CID 4744543) has the molecular formula C14H13N2O3S- and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate.

Molecular Properties

Compound Name4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
PubChem CID4744543
Molecular FormulaC14H13N2O3S-
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate
SMILES[H]/N=C(\[O-])c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-10-2-8-13(9-3-10)20(18,19)16-12-6-4-11(5-7-12)14(15)17/h2-9,16H,1H3,(H2,15,17)/p-1
InChIKeyOEPGVBWEPKWNEP-UHFFFAOYSA-M
XLogP1.48
TPSA93.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.48
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'}

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Related Compounds

N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-methyl-N-[4-(2-methylpropylamino)phenyl]benzenesulfonamide
CID 112980396
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-methoxy-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 27745145
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-[2-[4-[(4-methylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689392
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
The IUPAC name of 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate (CID 4744543) is 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate.
What is the SMILES notation for 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
The canonical SMILES for 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate is [H]/N=C(\[O-])c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
The InChIKey is OEPGVBWEPKWNEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14N2O3S/c1-10-2-8-13(9-3-10)20(18,19)16-12-6-4-11(5-7-12)14(15)17/h2-9,16H,1H3,(H2,15,17)/p-1.
What are the key properties of 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate?
4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate has a molecular weight of 289.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)sulfonylamino]benzenecarboximidate is sourced from PubChem (CID 4744543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).