4-fluoro-3-(methanesulfonamido)benzoic acid

C8H8FNO4S — CID 47002814

IUPAC4-fluoro-3-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C8H8FNO4S/c1-15(13,14)10-7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)
InChIKeyCPRDLCOJNODCAS-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.90
Rot. Bonds3

About 4-fluoro-3-(methanesulfonamido)benzoic acid

4-fluoro-3-(methanesulfonamido)benzoic acid (PubChem CID 47002814) has the molecular formula C8H8FNO4S and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-fluoro-3-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(methanesulfonamido)benzoic acid
PubChem CID47002814
Molecular FormulaC8H8FNO4S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name4-fluoro-3-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1cc(C(=O)O)ccc1F
InChIInChI=1S/C8H8FNO4S/c1-15(13,14)10-7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12)
InChIKeyCPRDLCOJNODCAS-UHFFFAOYSA-N
XLogP0.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethylsulfonylamino)-4-fluorobenzoic acid
CID 63664744
4-fluoro-3-(2-methylpropylsulfonylamino)benzoic acid
CID 63000374
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
4-fluoro-3-(3-methoxypropylsulfonylamino)benzoic acid
CID 63290128
4-fluoro-3-(3-methylbutylsulfonylamino)benzoic acid
CID 63820852
2-[[4-fluoro-3-(methanesulfonamido)benzoyl]amino]-4-methylpentanoic acid
CID 119188500
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
2-[butan-2-yl-[4-fluoro-3-(methanesulfonamido)benzoyl]amino]acetic acid
CID 119955015
2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methanesulfonamido)benzoic acid?
The IUPAC name of 4-fluoro-3-(methanesulfonamido)benzoic acid (CID 47002814) is 4-fluoro-3-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(methanesulfonamido)benzoic acid?
The canonical SMILES for 4-fluoro-3-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-(methanesulfonamido)benzoic acid?
The InChIKey is CPRDLCOJNODCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-4-5(8(11)12)2-3-6(7)9/h2-4,10H,1H3,(H,11,12).
What are the key properties of 4-fluoro-3-(methanesulfonamido)benzoic acid?
4-fluoro-3-(methanesulfonamido)benzoic acid has a molecular weight of 233.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 47002814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).