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

C19H15FN2O4S — CID 71170490

IUPAC5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)cc3)nc2)cc1C(=O)O
InChIInChI=1S/C19H15FN2O4S/c1-12-2-8-16(10-17(12)19(23)24)27(25,26)22-15-7-9-18(21-11-15)13-3-5-14(20)6-4-13/h2-11,22H,1H3,(H,23,24)
InChIKeyPRSVGGHJWKJVDW-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.70
Rot. Bonds5

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

5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (PubChem CID 71170490) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
PubChem CID71170490
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)cc3)nc2)cc1C(=O)O
InChIInChI=1S/C19H15FN2O4S/c1-12-2-8-16(10-17(12)19(23)24)27(25,26)22-15-7-9-18(21-11-15)13-3-5-14(20)6-4-13/h2-11,22H,1H3,(H,23,24)
InChIKeyPRSVGGHJWKJVDW-UHFFFAOYSA-N
XLogP3.70
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid (CID 71170490) is 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(F)cc3)nc2)cc1C(=O)O.
What is the InChIKey of 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
The InChIKey is PRSVGGHJWKJVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c1-12-2-8-16(10-17(12)19(23)24)27(25,26)22-15-7-9-18(21-11-15)13-3-5-14(20)6-4-13/h2-11,22H,1H3,(H,23,24).
What are the key properties of 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid?
5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid has a molecular weight of 386.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(4-fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 71170490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).