5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid

C15H13F2NO6S — CID 56808928

IUPAC5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc(C(=O)O)c1OC
InChIInChI=1S/C15H13F2NO6S/c1-23-13-7-9(6-10(15(19)20)14(13)24-2)25(21,22)18-8-3-4-11(16)12(17)5-8/h3-7,18H,1-2H3,(H,19,20)
InChIKeyWWVSZTAUEXNLTO-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.48
Rot. Bonds6

About 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid

5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid (PubChem CID 56808928) has the molecular formula C15H13F2NO6S and a molecular weight of 373.33 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
PubChem CID56808928
Molecular FormulaC15H13F2NO6S
Molecular Weight373.33 g/mol
Exact Mass373.04
IUPAC Name5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc(C(=O)O)c1OC
InChIInChI=1S/C15H13F2NO6S/c1-23-13-7-9(6-10(15(19)20)14(13)24-2)25(21,22)18-8-3-4-11(16)12(17)5-8/h3-7,18H,1-2H3,(H,19,20)
InChIKeyWWVSZTAUEXNLTO-UHFFFAOYSA-N
XLogP2.48
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
3,4,5-trimethoxy-N-(3-methoxy-4-methylphenyl)benzenesulfonamide
CID 18738997
3-(dimethylaminocarbamoyl)-N-(2-fluorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 9163771
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxy-N-(4-methylsulfanylphenyl)benzamide
CID 27364829
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
2-methoxy-5-[[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfamoyl]benzoic acid
CID 86786581

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid (CID 56808928) is 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid is COc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc(C(=O)O)c1OC.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid?
The InChIKey is WWVSZTAUEXNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO6S/c1-23-13-7-9(6-10(15(19)20)14(13)24-2)25(21,22)18-8-3-4-11(16)12(17)5-8/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid?
5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid has a molecular weight of 373.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 56808928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).