3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

C19H15FN2O4S — CID 56877985

IUPAC3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2F)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H15FN2O4S/c20-18-7-2-1-6-17(18)13-9-14(19(23)24)11-16(10-13)27(25,26)22-12-15-5-3-4-8-21-15/h1-11,22H,12H2,(H,23,24)
InChIKeyILNMMGMKNZVHFR-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.06
Rot. Bonds6

About 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 56877985) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
PubChem CID56877985
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(-c2ccccc2F)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C19H15FN2O4S/c20-18-7-2-1-6-17(18)13-9-14(19(23)24)11-16(10-13)27(25,26)22-12-15-5-3-4-8-21-15/h1-11,22H,12H2,(H,23,24)
InChIKeyILNMMGMKNZVHFR-UHFFFAOYSA-N
XLogP3.06
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Pyridin-3-ylmethyl)-sulfamoyl]-benzoic acid
CID 764036
3-[[4-(Pyridin-4-ylmethyl)phenyl]sulfamoyl]benzoic acid
CID 4848534
2-[(8-Quinolinylsulfonyl)amino]benzoic acid
CID 781543
3-{3-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
CID 10789321
3-(Quinolin-8-ylsulfonylamino)benzoic acid
CID 699753
5-(3-Sulfamoylphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 57390927
4-{[(4-Chloro-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-methyl}-2-fluoro-benzoic acid
CID 46891327
4-{[[(4-Cyanophenyl)sulfonyl](pyridin-2-ylmethyl)amino]methyl}-2-fluorobenzoic acid
CID 46891329
US10807974, Example 158
CID 130358206
3-(Pyridine-3-sulfonamido)benzoic acid
CID 20465959
3-Pyridin-4-yl-5-{[(pyridin-2-ylmethyl)amino]sulfonyl}benzoic acid
CID 56864479
3-Pyridin-3-yl-5-{[(pyridin-2-ylmethyl)amino]sulfonyl}benzoic acid
CID 56867447

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (CID 56877985) is 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is O=C(O)c1cc(-c2ccccc2F)cc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is ILNMMGMKNZVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c20-18-7-2-1-6-17(18)13-9-14(19(23)24)11-16(10-13)27(25,26)22-12-15-5-3-4-8-21-15/h1-11,22H,12H2,(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 386.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 56877985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).