4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid

C13H11FN2O5S — CID 167784979

IUPAC4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O5S/c1-21-12-5-9(2-3-11(12)13(17)18)16-22(19,20)10-4-8(14)6-15-7-10/h2-7,16H,1H3,(H,17,18)
InChIKeyXQSBCZFVCWLRDP-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.73
Rot. Bonds5

About 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid

4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid (PubChem CID 167784979) has the molecular formula C13H11FN2O5S and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
PubChem CID167784979
Molecular FormulaC13H11FN2O5S
Molecular Weight326.31 g/mol
Exact Mass326.04
IUPAC Name4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
SMILESCOc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1C(=O)O
InChIInChI=1S/C13H11FN2O5S/c1-21-12-5-9(2-3-11(12)13(17)18)16-22(19,20)10-4-8(14)6-15-7-10/h2-7,16H,1H3,(H,17,18)
InChIKeyXQSBCZFVCWLRDP-UHFFFAOYSA-N
XLogP1.73
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
2-methoxy-4-[(1-methylpyrazol-3-yl)sulfonylamino]benzoic acid
CID 167777194
5-[(3,4-difluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
CID 56808928
4-(2,2-dimethylpropylsulfonylamino)-2-methoxybenzoic acid
CID 107208906
2-methoxy-4-(quinolin-8-ylsulfonylamino)benzoic acid
CID 118468092
4-[[6-chloro-5-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596351
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid (CID 167784979) is 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid is COc1cc(NS(=O)(=O)c2cncc(F)c2)ccc1C(=O)O.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid?
The InChIKey is XQSBCZFVCWLRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O5S/c1-21-12-5-9(2-3-11(12)13(17)18)16-22(19,20)10-4-8(14)6-15-7-10/h2-7,16H,1H3,(H,17,18).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid?
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid has a molecular weight of 326.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid is sourced from PubChem (CID 167784979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).