6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid

C15H14FNO5S — CID 23647766

IUPAC6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
SMILESCc1c(CO)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C15H14FNO5S/c1-9-10(8-18)2-7-13(14(9)15(19)20)17-23(21,22)12-5-3-11(16)4-6-12/h2-7,17-18H,8H2,1H3,(H,19,20)
InChIKeyQQJCQNCWGQUXSD-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.13
Rot. Bonds5

About 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid

6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid (PubChem CID 23647766) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
PubChem CID23647766
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
SMILESCc1c(CO)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O
InChIInChI=1S/C15H14FNO5S/c1-9-10(8-18)2-7-13(14(9)15(19)20)17-23(21,22)12-5-3-11(16)4-6-12/h2-7,17-18H,8H2,1H3,(H,19,20)
InChIKeyQQJCQNCWGQUXSD-UHFFFAOYSA-N
XLogP2.13
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(hydroxymethyl)-6-methylphenyl]benzenesulfonamide
CID 74224377
2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68863953
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
5-[(4-fluorophenyl)sulfonylamino]-2-methylbenzo[g][1]benzofuran-3-carboxylic acid
CID 7574180
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
5-[3-(hydroxymethyl)-4-[(4-methylphenyl)sulfonylamino]phenoxy]-2-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 59566184
2-[4-[(4-fluoro-2-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 56812215
4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3870164
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid?
The IUPAC name of 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid (CID 23647766) is 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid?
The canonical SMILES for 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid is Cc1c(CO)ccc(NS(=O)(=O)c2ccc(F)cc2)c1C(=O)O.
What is the InChIKey of 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid?
The InChIKey is QQJCQNCWGQUXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-9-10(8-18)2-7-13(14(9)15(19)20)17-23(21,22)12-5-3-11(16)4-6-12/h2-7,17-18H,8H2,1H3,(H,19,20).
What are the key properties of 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid?
6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid has a molecular weight of 339.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid is sourced from PubChem (CID 23647766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).