2-[(4-acetamidophenyl)sulfonylamino]benzoate

C15H13N2O5S- — CID 7040069

IUPAC2-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H14N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(21,22)17-14-5-3-2-4-13(14)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)/p-1
InChIKeyPLPHKOWBVINJBY-UHFFFAOYSA-M
MW333.35 g/mol
LogP0.81
Rot. Bonds5

About 2-[(4-acetamidophenyl)sulfonylamino]benzoate

2-[(4-acetamidophenyl)sulfonylamino]benzoate (PubChem CID 7040069) has the molecular formula C15H13N2O5S- and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonylamino]benzoate
PubChem CID7040069
Molecular FormulaC15H13N2O5S-
Molecular Weight333.35 g/mol
Exact Mass333.06
IUPAC Name2-[(4-acetamidophenyl)sulfonylamino]benzoate
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C15H14N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(21,22)17-14-5-3-2-4-13(14)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)/p-1
InChIKeyPLPHKOWBVINJBY-UHFFFAOYSA-M
XLogP0.81
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
1-[(4-acetamidophenyl)sulfonylamino]-2-(sulfinoamino)oxycarbonylbenzene
CID 123662149
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
CID 1290039
N-[4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]acetamide
CID 2207163
2-[(4-acetamidophenyl)sulfonylamino]-5-sulfobenzoic acid
CID 3753672
sodium 2-acetamidobenzoate
CID 23702638
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonylamino]benzoate (CID 7040069) is 2-[(4-acetamidophenyl)sulfonylamino]benzoate.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonylamino]benzoate is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
The InChIKey is PLPHKOWBVINJBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O5S/c1-10(18)16-11-6-8-12(9-7-11)23(21,22)17-14-5-3-2-4-13(14)15(19)20/h2-9,17H,1H3,(H,16,18)(H,19,20)/p-1.
What are the key properties of 2-[(4-acetamidophenyl)sulfonylamino]benzoate?
2-[(4-acetamidophenyl)sulfonylamino]benzoate has a molecular weight of 333.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7040069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).