2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid

C14H8F5NO5S — CID 155578468

IUPAC2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)cc1F
InChIInChI=1S/C14H8F5NO5S/c1-25-7-3-2-5(4-6(7)15)20-26(23,24)13-8(14(21)22)9(16)10(17)11(18)12(13)19/h2-4,20H,1H3,(H,21,22)
InChIKeySYPPQFUYUZAPJO-UHFFFAOYSA-N
MW397.28 g/mol
LogP2.89
Rot. Bonds5

About 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid

2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 155578468) has the molecular formula C14H8F5NO5S and a molecular weight of 397.28 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID155578468
Molecular FormulaC14H8F5NO5S
Molecular Weight397.28 g/mol
Exact Mass397.00
IUPAC Name2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)cc1F
InChIInChI=1S/C14H8F5NO5S/c1-25-7-3-2-5(4-6(7)15)20-26(23,24)13-8(14(21)22)9(16)10(17)11(18)12(13)19/h2-4,20H,1H3,(H,21,22)
InChIKeySYPPQFUYUZAPJO-UHFFFAOYSA-N
XLogP2.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

benzyl 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoate
CID 155578382
2-amino-N-(3-fluoro-4-methoxyphenyl)-6-methylbenzenesulfonamide
CID 43452572
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(3-fluoro-4-methoxyphenyl)-3,5-dimethyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 56791197
(E)-N-(3-fluoro-4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
CID 71746427
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
4-amino-N-(3-fluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 43380676
3-[(3,4-dimethoxyphenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 56809084
2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060132
5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
CID 56808928
3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid (CID 155578468) is 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2C(=O)O)cc1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is SYPPQFUYUZAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO5S/c1-25-7-3-2-5(4-6(7)15)20-26(23,24)13-8(14(21)22)9(16)10(17)11(18)12(13)19/h2-4,20H,1H3,(H,21,22).
What are the key properties of 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid?
2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 397.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-6-[(3-fluoro-4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 155578468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).