2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid

C16H16FNO4S — CID 59051342

IUPAC2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO4S/c17-14-6-8-15(9-7-14)23(21,22)18(12-16(19)20)11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyFVBCBRHAONYFLJ-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.14
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid

2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid (PubChem CID 59051342) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
PubChem CID59051342
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO4S/c17-14-6-8-15(9-7-14)23(21,22)18(12-16(19)20)11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKeyFVBCBRHAONYFLJ-UHFFFAOYSA-N
XLogP2.14
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
CID 4268030
N-(2-phenylethyl)-N-(phenylsulfonyl)glycine
CID 740561
N-cyclohexyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 1534374
N-benzyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 757559
(R)-2-(N-benzyl-4-fluorophenylsulphonamido)-3-methylbutanoic acid
CID 23655713
2-(N-benzyl-4-methylphenylsulfonamido)acetic acid
CID 294713
2-[[2-[[Carboxymethyl-(2,6-difluorophenyl)sulfonylamino]methyl]phenyl]methyl-(2,6-difluorophenyl)sulfonylamino]acetic acid
CID 156009785
N-(2-fluorobenzyl)-N-[(4-methylphenyl)sulfonyl]glycine
CID 888544
N-[(4-bromophenyl)sulfonyl]-N-(2-phenylethyl)glycine
CID 1092328
2-[(4-Bromo-2-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
CID 59051477
2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
CID 740569
2-[[2-[[Carboxymethyl-(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 154653250

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid (CID 59051342) is 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid?
The InChIKey is FVBCBRHAONYFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c17-14-6-8-15(9-7-14)23(21,22)18(12-16(19)20)11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid?
2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 59051342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).