2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid

C15H14FNO4S — CID 51114826

IUPAC2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)O)c1
InChIInChI=1S/C15H14FNO4S/c1-9-4-6-13(11(7-9)15(18)19)17-22(20,21)14-8-10(2)3-5-12(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyYWGPYMQJERRHJX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.94
Rot. Bonds4

About 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid (PubChem CID 51114826) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
PubChem CID51114826
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)O)c1
InChIInChI=1S/C15H14FNO4S/c1-9-4-6-13(11(7-9)15(18)19)17-22(20,21)14-8-10(2)3-5-12(14)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyYWGPYMQJERRHJX-UHFFFAOYSA-N
XLogP2.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methylbenzoic acid
CID 103298700
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51126123
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43294353
3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51127324
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
N-(2-fluoro-4-methylphenyl)-2-hydroxybenzenesulfonamide
CID 81241392

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid (CID 51114826) is 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid is Cc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid?
The InChIKey is YWGPYMQJERRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-9-4-6-13(11(7-9)15(18)19)17-22(20,21)14-8-10(2)3-5-12(14)16/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid?
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid has a molecular weight of 323.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid is sourced from PubChem (CID 51114826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).