(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid

C15H14FNO5S — CID 42184451

IUPAC(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO5S/c1-22-13-8-7-11(9-12(13)16)23(20,21)17-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)/t14-/m0/s1
InChIKeyOMJZZPXZVHRBKD-AWEZNQCLSA-N
MW339.34 g/mol
LogP1.94
Rot. Bonds6

About (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid

(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid (PubChem CID 42184451) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
PubChem CID42184451
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC Name(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1F
InChIInChI=1S/C15H14FNO5S/c1-22-13-8-7-11(9-12(13)16)23(20,21)17-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)/t14-/m0/s1
InChIKeyOMJZZPXZVHRBKD-AWEZNQCLSA-N
XLogP1.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
4-fluoro-3-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 935410
(2R)-2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylamino]-2-phenylacetic acid
CID 122069465
(2R)-2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]-3-methylbutanoic acid
CID 120606796
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid (CID 42184451) is (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid is COc1ccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2)cc1F.
What is the InChIKey of (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is OMJZZPXZVHRBKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-22-13-8-7-11(9-12(13)16)23(20,21)17-14(15(18)19)10-5-3-2-4-6-10/h2-9,14,17H,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid?
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 339.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 42184451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).