5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid

C19H14F2N2O4S — CID 71170488

IUPAC5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)c(F)c3)nc2)cc1C(=O)O
InChIInChI=1S/C19H14F2N2O4S/c1-11-2-5-14(9-15(11)19(24)25)28(26,27)23-13-4-7-18(22-10-13)12-3-6-16(20)17(21)8-12/h2-10,23H,1H3,(H,24,25)
InChIKeyFSYKYYOPTAVXMT-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.83
Rot. Bonds5

About 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid

5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 71170488) has the molecular formula C19H14F2N2O4S and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID71170488
Molecular FormulaC19H14F2N2O4S
Molecular Weight404.39 g/mol
Exact Mass404.06
IUPAC Name5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)c(F)c3)nc2)cc1C(=O)O
InChIInChI=1S/C19H14F2N2O4S/c1-11-2-5-14(9-15(11)19(24)25)28(26,27)23-13-4-7-18(22-10-13)12-3-6-16(20)17(21)8-12/h2-10,23H,1H3,(H,24,25)
InChIKeyFSYKYYOPTAVXMT-UHFFFAOYSA-N
XLogP3.83
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (CID 71170488) is 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)c(F)c3)nc2)cc1C(=O)O.
What is the InChIKey of 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is FSYKYYOPTAVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O4S/c1-11-2-5-14(9-15(11)19(24)25)28(26,27)23-13-4-7-18(22-10-13)12-3-6-16(20)17(21)8-12/h2-10,23H,1H3,(H,24,25).
What are the key properties of 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 404.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3,4-difluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 71170488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).