4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid

C15H14FNO4S — CID 3490945

IUPAC4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H14FNO4S/c16-13-7-6-12(15(18)19)10-14(13)22(20,21)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyVSBCFMGEFCCAMW-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.04
Rot. Bonds6

About 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid

4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid (PubChem CID 3490945) has the molecular formula C15H14FNO4S and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
PubChem CID3490945
Molecular FormulaC15H14FNO4S
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(F)c(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H14FNO4S/c16-13-7-6-12(15(18)19)10-14(13)22(20,21)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19)
InChIKeyVSBCFMGEFCCAMW-UHFFFAOYSA-N
XLogP2.04
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979352
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344
3-[2-(2-chloro-6-fluorophenyl)ethylsulfamoyl]-4-fluorobenzoic acid
CID 9160242
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979327
3-[2-(4-ethylphenyl)ethylsulfamoyl]-4-fluorobenzoate
CID 9160269
3-[(3-bromophenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160148
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
3-[3-(ethylamino)propylsulfamoyl]-4-fluorobenzoic acid
CID 61403638
3-(2,2-difluoroethylsulfamoyl)-4-fluorobenzoic acid
CID 113303553
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid?
The IUPAC name of 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid (CID 3490945) is 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid is O=C(O)c1ccc(F)c(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid?
The InChIKey is VSBCFMGEFCCAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c16-13-7-6-12(15(18)19)10-14(13)22(20,21)17-9-8-11-4-2-1-3-5-11/h1-7,10,17H,8-9H2,(H,18,19).
What are the key properties of 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid?
4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid has a molecular weight of 323.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-phenylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 3490945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).