4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate

C14H11FNO4S- — CID 7040246

IUPAC4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C14H12FNO4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyMHOKECSBIJUSOY-UHFFFAOYSA-M
MW308.31 g/mol
LogP1.30
Rot. Bonds4

About 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate

4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate (PubChem CID 7040246) has the molecular formula C14H11FNO4S- and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
PubChem CID7040246
Molecular FormulaC14H11FNO4S-
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C14H12FNO4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1
InChIKeyMHOKECSBIJUSOY-UHFFFAOYSA-M
XLogP1.30
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
5-fluoro-2-methyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 3600793
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoate
CID 6957575
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
N-(3,5-dichloro-4-hydroxyphenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 82880647
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4-methylbenzoate
CID 8822569
N-[4-(2-bromoethyl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 114296416
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate (CID 7040246) is 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate is Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate?
The InChIKey is MHOKECSBIJUSOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12FNO4S/c1-9-2-5-11(15)8-13(9)21(19,20)16-12-6-3-10(4-7-12)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1.
What are the key properties of 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate?
4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate has a molecular weight of 308.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7040246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).