3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid

C14H11F2NO5S — CID 10472595

IUPAC3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(C(=O)O)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO5S/c1-23(20,21)17-11-4-2-8(14(18)19)6-13(11)22-12-5-3-9(15)7-10(12)16/h2-7,17H,1H3,(H,18,19)
InChIKeyRUZAGCGPASIORY-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.83
Rot. Bonds5

About 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid

3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid (PubChem CID 10472595) has the molecular formula C14H11F2NO5S and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
PubChem CID10472595
Molecular FormulaC14H11F2NO5S
Molecular Weight343.31 g/mol
Exact Mass343.03
IUPAC Name3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(C(=O)O)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C14H11F2NO5S/c1-23(20,21)17-11-4-2-8(14(18)19)6-13(11)22-12-5-3-9(15)7-10(12)16/h2-7,17H,1H3,(H,18,19)
InChIKeyRUZAGCGPASIORY-UHFFFAOYSA-N
XLogP2.83
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-(2,4-difluorophenoxy)-4-methylphenyl]methanesulfonamide
CID 10358200
(2R)-2-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]-2-hydroxyacetic acid
CID 10738085
[(E)-1-[3-(2,4-difluorophenoxy)-4-(methanesulfonamido)phenyl]ethylideneamino]thiourea
CID 11742516
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
4-(methanesulfonamido)-3-phenylmethoxybenzoic acid
CID 166479657
3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
N-[5-acetyl-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10066899
N-[5-(2-bromoacetyl)-2-(2,4-difluorophenyl)sulfanylphenyl]methanesulfonamide
CID 10026012

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid?
The IUPAC name of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid (CID 10472595) is 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid?
The canonical SMILES for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1ccc(C(=O)O)cc1Oc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid?
The InChIKey is RUZAGCGPASIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO5S/c1-23(20,21)17-11-4-2-8(14(18)19)6-13(11)22-12-5-3-9(15)7-10(12)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid?
3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid has a molecular weight of 343.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 10472595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).