3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid

C12H8BrFN2O4S — CID 63113303

IUPAC3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(Br)c1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H8BrFN2O4S/c13-10-3-1-2-9(12(17)18)11(10)16-21(19,20)8-4-7(14)5-15-6-8/h1-6,16H,(H,17,18)
InChIKeyHISCCXIQRGPEOD-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.48
Rot. Bonds4

About 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid

3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 63113303) has the molecular formula C12H8BrFN2O4S and a molecular weight of 375.18 g/mol. Its IUPAC name is 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
PubChem CID63113303
Molecular FormulaC12H8BrFN2O4S
Molecular Weight375.18 g/mol
Exact Mass373.94
IUPAC Name3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cccc(Br)c1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H8BrFN2O4S/c13-10-3-1-2-9(12(17)18)11(10)16-21(19,20)8-4-7(14)5-15-6-8/h1-6,16H,(H,17,18)
InChIKeyHISCCXIQRGPEOD-UHFFFAOYSA-N
XLogP2.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-3-pyridinyl)sulfonylamino]-3-chlorobenzoic acid
CID 104933701
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828322
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
N-(4-bromo-3,5-dimethylphenyl)-5-fluoropyridine-3-sulfonamide
CID 103580466
3-bromo-2-(diethylsulfamoylamino)benzoic acid
CID 63112905
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 76923039
N-(4-bromo-2-pyridinyl)-5-fluoropyridine-3-sulfonamide
CID 102671893
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid (CID 63113303) is 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid is O=C(O)c1cccc(Br)c1NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is HISCCXIQRGPEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2O4S/c13-10-3-1-2-9(12(17)18)11(10)16-21(19,20)8-4-7(14)5-15-6-8/h1-6,16H,(H,17,18).
What are the key properties of 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 375.18 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 63113303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).