3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid

C15H14FNO4S — CID 805440

IUPAC3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C15H14FNO4S/c1-9-7-11(15(18)19)8-14(10(9)2)22(20,21)17-13-6-4-3-5-12(13)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyQBQNPTOJOWLCPW-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.94
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid

3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid (PubChem CID 805440) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
PubChem CID805440
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2F)c1C
InChIInChI=1S/C15H14FNO4S/c1-9-7-11(15(18)19)8-14(10(9)2)22(20,21)17-13-6-4-3-5-12(13)16/h3-8,17H,1-2H3,(H,18,19)
InChIKeyQBQNPTOJOWLCPW-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

3,4-dichloro-5-[(2-fluorophenyl)sulfamoyl]benzoic acid
CID 2380504
3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408
3-[(2,3-difluorophenyl)sulfamoyl]-4-methylbenzoic acid
CID 52715195
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
4-[(2-fluorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63327927
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24671753
4-[(2-fluorophenyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62803239
3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9238951
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid (CID 805440) is 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2ccccc2F)c1C.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The InChIKey is QBQNPTOJOWLCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-9-7-11(15(18)19)8-14(10(9)2)22(20,21)17-13-6-4-3-5-12(13)16/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid?
3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic 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 3-[(2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoic acid is sourced from PubChem (CID 805440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).