3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

C12H10ClFN2O3S — CID 2471797

IUPAC3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H10ClFN2O3S/c1-19-12-5-2-8(7-15-12)16-20(17,18)9-3-4-11(14)10(13)6-9/h2-7,16H,1H3
InChIKeyOECUTVAWDCWOGY-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.68
Rot. Bonds4

About 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide

3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (PubChem CID 2471797) has the molecular formula C12H10ClFN2O3S and a molecular weight of 316.74 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
PubChem CID2471797
Molecular FormulaC12H10ClFN2O3S
Molecular Weight316.74 g/mol
Exact Mass316.01
IUPAC Name3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C12H10ClFN2O3S/c1-19-12-5-2-8(7-15-12)16-20(17,18)9-3-4-11(14)10(13)6-9/h2-7,16H,1H3
InChIKeyOECUTVAWDCWOGY-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide (CID 2471797) is 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
The InChIKey is OECUTVAWDCWOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3S/c1-19-12-5-2-8(7-15-12)16-20(17,18)9-3-4-11(14)10(13)6-9/h2-7,16H,1H3.
What are the key properties of 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide 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 3-chloro-4-fluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2471797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).