(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid

C15H13F2NO6S — CID 10738085

IUPAC(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
SMILESCS(=O)(=O)Nc1ccc([C@@H](O)C(=O)O)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO6S/c1-25(22,23)18-11-4-2-8(14(19)15(20)21)6-13(11)24-12-5-3-9(16)7-10(12)17/h2-7,14,18-19H,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVCTCWNXGGCLGCL-CQSZACIVSA-N
MW373.33 g/mol
LogP2.25
Rot. Bonds6

About (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid

(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid (PubChem CID 10738085) has the molecular formula C15H13F2NO6S and a molecular weight of 373.33 g/mol. Its IUPAC name is (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
PubChem CID10738085
Molecular FormulaC15H13F2NO6S
Molecular Weight373.33 g/mol
Exact Mass373.04
IUPAC Name(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
SMILESCS(=O)(=O)Nc1ccc([C@@H](O)C(=O)O)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H13F2NO6S/c1-25(22,23)18-11-4-2-8(14(19)15(20)21)6-13(11)24-12-5-3-9(16)7-10(12)17/h2-7,14,18-19H,1H3,(H,20,21)/t14-/m1/s1
InChIKeyVCTCWNXGGCLGCL-CQSZACIVSA-N
XLogP2.25
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
CID 10472595
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N-methylbenzamide
CID 10316216
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)-N,N-dimethylbenzamide
CID 10317066
N-[2-(2,4-difluorophenoxy)-4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]methanesulfonamide
CID 10316217
3-(2,4-difluorophenoxy)-N'-hydroxy-4-(methanesulfonamido)benzenecarboximidamide
CID 19850887
[(E)-1-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]ethylideneamino]thiourea
CID 11742516
N-[2-(2,4-difluorophenyl)sulfonyl-4-(1-hydroxyethyl)phenyl]methanesulfonamide
CID 19817742
N-[2-(2,4-difluorophenoxy)-4-(3-ethylsulfanyl-1,2,4-oxadiazol-5-yl)phenyl]methanesulfonamide
CID 10094038
2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-phenylacetic acid
CID 59637288
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid?
The IUPAC name of (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid (CID 10738085) is (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid is CS(=O)(=O)Nc1ccc([C@@H](O)C(=O)O)cc1Oc1ccc(F)cc1F.
What is the InChIKey of (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid?
The InChIKey is VCTCWNXGGCLGCL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13F2NO6S/c1-25(22,23)18-11-4-2-8(14(19)15(20)21)6-13(11)24-12-5-3-9(16)7-10(12)17/h2-7,14,18-19H,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid?
(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid has a molecular weight of 373.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 10738085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).