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

C13H11FN2O5S — CID 138041129

IUPAC2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)c2cncc(F)c2)c1
InChIInChI=1S/C13H11FN2O5S/c1-21-9-2-3-11(13(17)18)12(5-9)16-22(19,20)10-4-8(14)6-15-7-10/h2-7,16H,1H3,(H,17,18)
InChIKeyIUMMZWPYQLNUMT-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.73
Rot. Bonds5

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

2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid (PubChem CID 138041129) has the molecular formula C13H11FN2O5S and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
PubChem CID138041129
Molecular FormulaC13H11FN2O5S
Molecular Weight326.31 g/mol
Exact Mass326.04
IUPAC Name2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NS(=O)(=O)c2cncc(F)c2)c1
InChIInChI=1S/C13H11FN2O5S/c1-21-9-2-3-11(13(17)18)12(5-9)16-22(19,20)10-4-8(14)6-15-7-10/h2-7,16H,1H3,(H,17,18)
InChIKeyIUMMZWPYQLNUMT-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

4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
4-methoxy-2-[(1-phenylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 166198354
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
2-(tert-butylsulfonylamino)-4-methoxybenzoic acid
CID 113303117
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687
2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
CID 78920269
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[(5-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 104638375
2-(cyanomethylsulfonylamino)-4-methoxybenzoic acid
CID 115411259

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid (CID 138041129) is 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NS(=O)(=O)c2cncc(F)c2)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid?
The InChIKey is IUMMZWPYQLNUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O5S/c1-21-9-2-3-11(13(17)18)12(5-9)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 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid?
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-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 2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid is sourced from PubChem (CID 138041129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).