3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid

C14H12FNO4S — CID 43362487

IUPAC3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
SMILESO=C(O)c1cccc(CS(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO4S/c15-12-4-6-13(7-5-12)16-21(19,20)9-10-2-1-3-11(8-10)14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyUZZGCDMGOLWMAQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.47
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid

3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid (PubChem CID 43362487) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
PubChem CID43362487
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
SMILESO=C(O)c1cccc(CS(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H12FNO4S/c15-12-4-6-13(7-5-12)16-21(19,20)9-10-2-1-3-11(8-10)14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyUZZGCDMGOLWMAQ-UHFFFAOYSA-N
XLogP2.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-fluoro-2-pyridinyl)sulfamoylmethyl]benzoic acid
CID 116812710
3-(benzylsulfamoylmethyl)benzoic acid
CID 43362532
3-(3-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499122
3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]sulfamoylmethyl]benzoic acid
CID 107848248
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid
CID 79042788
4-[(4-phenylphenyl)sulfamoylmethyl]benzoic acid
CID 130247707
3-(ethylsulfonylmethyl)benzoic acid
CID 43386055
3-[(2-methoxy-2-oxoethyl)sulfamoylmethyl]benzoic acid
CID 43362438
3-(1H-pyrrol-3-ylmethylsulfamoylmethyl)benzoic acid
CID 106384516
3-(2-methylsulfanylethylsulfamoylmethyl)benzoic acid
CID 43525945
3-[[(2,6-difluorophenyl)methylsulfonylamino]methyl]benzoic acid
CID 146090755

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid (CID 43362487) is 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid is O=C(O)c1cccc(CS(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid?
The InChIKey is UZZGCDMGOLWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c15-12-4-6-13(7-5-12)16-21(19,20)9-10-2-1-3-11(8-10)14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid?
3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid is sourced from PubChem (CID 43362487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).