3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid

C13H11FN2O4S — CID 43510389

IUPAC3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H11FN2O4S/c1-8-11(14)5-9(13(17)18)6-12(8)21(19,20)16-10-3-2-4-15-7-10/h2-7,16H,1H3,(H,17,18)
InChIKeyWPZIAJMAVVVCNT-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.03
Rot. Bonds4

About 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid

3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid (PubChem CID 43510389) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
PubChem CID43510389
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
SMILESCc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H11FN2O4S/c1-8-11(14)5-9(13(17)18)6-12(8)21(19,20)16-10-3-2-4-15-7-10/h2-7,16H,1H3,(H,17,18)
InChIKeyWPZIAJMAVVVCNT-UHFFFAOYSA-N
XLogP2.03
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-difluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71941450
3-fluoro-4-methyl-5-[(1-methylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43535060
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
3-[(3-cyano-4-fluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71880894
3-[(3,4-dimethoxyphenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 56809084
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-fluoro-4-methyl-5-(2-methylpropylsulfamoyl)benzoic acid
CID 43510378
4-fluoro-3-(pyrimidin-5-ylsulfamoyl)benzoic acid
CID 104856668
3-bromo-4-methyl-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 81460556
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 146127486
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid?
The IUPAC name of 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid (CID 43510389) is 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid?
The canonical SMILES for 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid is Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid?
The InChIKey is WPZIAJMAVVVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-8-11(14)5-9(13(17)18)6-12(8)21(19,20)16-10-3-2-4-15-7-10/h2-7,16H,1H3,(H,17,18).
What are the key properties of 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid?
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid has a molecular weight of 310.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43510389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).