2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid

C15H14FNO5S — CID 166229174

IUPAC2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C15H14FNO5S/c1-9-3-5-11(22-2)8-14(9)23(20,21)17-10-4-6-12(15(18)19)13(16)7-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeyAPCWKOXVHOAMCM-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.64
Rot. Bonds5

About 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid

2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 166229174) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
PubChem CID166229174
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1
InChIInChI=1S/C15H14FNO5S/c1-9-3-5-11(22-2)8-14(9)23(20,21)17-10-4-6-12(15(18)19)13(16)7-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeyAPCWKOXVHOAMCM-UHFFFAOYSA-N
XLogP2.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenyl]acetate
CID 7286055
N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
2-fluoro-4-(2-methoxyethylsulfamoylamino)benzoic acid
CID 114002122
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
2-fluoro-4-(sulfamoylamino)benzoic acid
CID 107793195

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid (CID 166229174) is 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid is COc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is APCWKOXVHOAMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-9-3-5-11(22-2)8-14(9)23(20,21)17-10-4-6-12(15(18)19)13(16)7-10/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid?
2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 339.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-methoxy-2-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 166229174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).