4-[(3-cyanophenyl)sulfonylamino]benzoate

C14H9N2O4S- — CID 8015569

IUPAC4-[(3-cyanophenyl)sulfonylamino]benzoate
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C14H10N2O4S/c15-9-10-2-1-3-13(8-10)21(19,20)16-12-6-4-11(5-7-12)14(17)18/h1-8,16H,(H,17,18)/p-1
InChIKeyNTVXZCBYPCNESK-UHFFFAOYSA-M
MW301.30 g/mol
LogP0.72
Rot. Bonds4

About 4-[(3-cyanophenyl)sulfonylamino]benzoate

4-[(3-cyanophenyl)sulfonylamino]benzoate (PubChem CID 8015569) has the molecular formula C14H9N2O4S- and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name4-[(3-cyanophenyl)sulfonylamino]benzoate
PubChem CID8015569
Molecular FormulaC14H9N2O4S-
Molecular Weight301.30 g/mol
Exact Mass301.03
IUPAC Name4-[(3-cyanophenyl)sulfonylamino]benzoate
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1
InChIInChI=1S/C14H10N2O4S/c15-9-10-2-1-3-13(8-10)21(19,20)16-12-6-4-11(5-7-12)14(17)18/h1-8,16H,(H,17,18)/p-1
InChIKeyNTVXZCBYPCNESK-UHFFFAOYSA-M
XLogP0.72
TPSA110.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
4-(phenylsulfamoyl)benzoate
CID 6997297
4-[[3-[(4-iodophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6968790
N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)sulfonylamino]benzoate?
The IUPAC name of 4-[(3-cyanophenyl)sulfonylamino]benzoate (CID 8015569) is 4-[(3-cyanophenyl)sulfonylamino]benzoate.
What is the SMILES notation for 4-[(3-cyanophenyl)sulfonylamino]benzoate?
The canonical SMILES for 4-[(3-cyanophenyl)sulfonylamino]benzoate is N#Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1.
What is the InChIKey of 4-[(3-cyanophenyl)sulfonylamino]benzoate?
The InChIKey is NTVXZCBYPCNESK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O4S/c15-9-10-2-1-3-13(8-10)21(19,20)16-12-6-4-11(5-7-12)14(17)18/h1-8,16H,(H,17,18)/p-1.
What are the key properties of 4-[(3-cyanophenyl)sulfonylamino]benzoate?
4-[(3-cyanophenyl)sulfonylamino]benzoate has a molecular weight of 301.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 8015569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).