N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide

C12H10ClFN2O3S — CID 935232

IUPACN-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F
InChIInChI=1S/C12H10ClFN2O3S/c1-19-11-6-9(3-4-10(11)14)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,1H3,(H,15,16)
InChIKeyAZWOHKMSFQHZKV-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.68
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 935232) has the molecular formula C12H10ClFN2O3S and a molecular weight of 316.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID935232
Molecular FormulaC12H10ClFN2O3S
Molecular Weight316.74 g/mol
Exact Mass316.01
IUPAC NameN-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F
InChIInChI=1S/C12H10ClFN2O3S/c1-19-11-6-9(3-4-10(11)14)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,1H3,(H,15,16)
InChIKeyAZWOHKMSFQHZKV-UHFFFAOYSA-N
XLogP2.68
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-3-methoxy-N-pyridin-3-yl-benzenesulfonamide
CID 609536
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
N-(5-Chloro-pyridin-2-yl)-4-methoxy-2,3-dimethyl-benzenesulfonamide
CID 646091
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methoxy-N'-methylbenzenesulfonohydrazide
CID 1476492
4-chloro-2,5-dimethoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 2236604
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
CID 2301906
3-chloro-4-fluoro-N-(6-methoxypyridin-3-yl)benzene-1-sulfonamide
CID 2471797
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
N-(5-chloropyridin-2-yl)-4-methoxybenzenesulfonamide
CID 759583
N-[6-(4-chlorophenoxy)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 2809591
3,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 778315

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 935232) is N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1F.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is AZWOHKMSFQHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3S/c1-19-11-6-9(3-4-10(11)14)20(17,18)16-12-5-2-8(13)7-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 316.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 935232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).