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

C12H8ClFN2O4S — CID 56828322

IUPAC2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cncc(F)c2)ccc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-11-2-1-8(4-10(11)12(17)18)16-21(19,20)9-3-7(14)5-15-6-9/h1-6,16H,(H,17,18)
InChIKeyQNFUNBZFISCEBX-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.37
Rot. Bonds4

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

2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid (PubChem CID 56828322) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
PubChem CID56828322
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cncc(F)c2)ccc1Cl
InChIInChI=1S/C12H8ClFN2O4S/c13-11-2-1-8(4-10(11)12(17)18)16-21(19,20)9-3-7(14)5-15-6-9/h1-6,16H,(H,17,18)
InChIKeyQNFUNBZFISCEBX-UHFFFAOYSA-N
XLogP2.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
4-[(5-fluoro-3-pyridinyl)sulfonylamino]-2-methoxybenzoic acid
CID 167784979
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
2-chloro-5-(sulfoamino)benzoic acid
CID 169095231
2-[(5-fluoro-3-pyridinyl)sulfonylamino]-4-methoxybenzoic acid
CID 138041129
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-sulfonamide
CID 114296376
2-chloro-5-[(2,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 51133066
5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
CID 39331681
2-chloro-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]benzoic acid
CID 25331541
2,3-dichloro-5-[(3-fluorophenyl)sulfamoyl]benzoic acid
CID 71882393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid (CID 56828322) is 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cncc(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
The InChIKey is QNFUNBZFISCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-11-2-1-8(4-10(11)12(17)18)16-21(19,20)9-3-7(14)5-15-6-9/h1-6,16H,(H,17,18).
What are the key properties of 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid?
2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid has a molecular weight of 330.72 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 56828322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).