2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride

C12H8ClFN2O3S — CID 116814012

IUPAC2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cn1
InChIInChI=1S/C12H8ClFN2O3S/c13-8-5-6-10(15-7-8)12(17)16-9-3-1-2-4-11(9)20(14,18)19/h1-7H,(H,16,17)
InChIKeyWOPFDDTXFHKNMI-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.65
Rot. Bonds3

About 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride

2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride (PubChem CID 116814012) has the molecular formula C12H8ClFN2O3S and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
PubChem CID116814012
Molecular FormulaC12H8ClFN2O3S
Molecular Weight314.73 g/mol
Exact Mass313.99
IUPAC Name2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride
SMILESO=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cn1
InChIInChI=1S/C12H8ClFN2O3S/c13-8-5-6-10(15-7-8)12(17)16-9-3-1-2-4-11(9)20(14,18)19/h1-7H,(H,16,17)
InChIKeyWOPFDDTXFHKNMI-UHFFFAOYSA-N
XLogP2.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-fluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116813961
5-chloro-N-[2-(chloromethyl)phenyl]pyridine-2-carboxamide
CID 113271900
2-[(4-bromo-2-chlorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814035
2-[(2,3-difluorobenzoyl)amino]benzenesulfonyl fluoride
CID 116814244
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
2-[(5-iodothiophene-3-carbonyl)amino]benzenesulfonyl fluoride
CID 116814222
5-[(4-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190099
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
5-(2,6-dichloroanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198867
2-[(5-fluoro-2-methylbenzoyl)amino]benzenesulfonyl fluoride
CID 116814212
5-(tert-butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109195204
2-[[(E)-but-2-enoyl]amino]benzenesulfonyl fluoride
CID 116814119

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride (CID 116814012) is 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride is O=C(Nc1ccccc1S(=O)(=O)F)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride?
The InChIKey is WOPFDDTXFHKNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3S/c13-8-5-6-10(15-7-8)12(17)16-9-3-1-2-4-11(9)20(14,18)19/h1-7H,(H,16,17).
What are the key properties of 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride?
2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride has a molecular weight of 314.73 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyridine-2-carbonyl)amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).