2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid

C15H14FNO4S — CID 59637288

IUPAC2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid
SMILESCS(=O)(=O)Nc1ccc(C(C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO4S/c1-22(20,21)17-13-8-7-11(9-12(13)16)14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyWCGGKDXVMWJYCX-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.41
Rot. Bonds5

About 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid

2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid (PubChem CID 59637288) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid
PubChem CID59637288
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Name2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid
SMILESCS(=O)(=O)Nc1ccc(C(C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO4S/c1-22(20,21)17-13-8-7-11(9-12(13)16)14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)
InChIKeyWCGGKDXVMWJYCX-UHFFFAOYSA-N
XLogP2.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-methylphenyl)acetate
CID 59840738
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-(naphthalen-2-ylmethyl)propanamide
CID 57391194
4-fluoro-3-(methanesulfonamido)-N-[(1R)-1-phenylethyl]benzamide
CID 95153058
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylpropanoic acid
CID 174593409
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 25103754
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]propanamide
CID 57396570
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-iodophenyl)methyl]propanamide
CID 57403413
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid?
The IUPAC name of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid (CID 59637288) is 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid?
The canonical SMILES for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid is CS(=O)(=O)Nc1ccc(C(C(=O)O)c2ccccc2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid?
The InChIKey is WCGGKDXVMWJYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-22(20,21)17-13-8-7-11(9-12(13)16)14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19).
What are the key properties of 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid?
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid has a molecular weight of 323.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid is sourced from PubChem (CID 59637288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).