2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide

C12H10ClFN2O3S — CID 86803068

IUPAC2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccnc(NS(=O)(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C12H10ClFN2O3S/c1-19-8-5-6-15-11(7-8)16-20(17,18)12-9(13)3-2-4-10(12)14/h2-7H,1H3,(H,15,16)
InChIKeyXEBUETDXPAIGDP-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide

2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide (PubChem CID 86803068) has the molecular formula C12H10ClFN2O3S and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide
PubChem CID86803068
Molecular FormulaC12H10ClFN2O3S
Molecular Weight316.74 g/mol
Exact Mass316.01
IUPAC Name2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide
SMILESCOc1ccnc(NS(=O)(=O)c2c(F)cccc2Cl)c1
InChIInChI=1S/C12H10ClFN2O3S/c1-19-8-5-6-15-11(7-8)16-20(17,18)12-9(13)3-2-4-10(12)14/h2-7H,1H3,(H,15,16)
InChIKeyXEBUETDXPAIGDP-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

2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
CID 75458673
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-fluorobenzenesulfonamide
CID 91661732
N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
2,6-difluoro-N-(2-methoxypyrimidin-5-yl)benzenesulfonamide
CID 122301669
N-(2-chloro-5-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47408334
3-chloro-N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methylsulfonylbenzenesulfonamide
CID 69347670
N-(5-chloroquinoxalin-2-yl)-3-methoxybenzenesulfonamide
CID 167937890
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
2,6-difluoro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzenesulfonamide
CID 48628792
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
2-chloro-N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-6-fluorobenzenesulfonamide
CID 86803070
(1S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376672

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide (CID 86803068) is 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide is COc1ccnc(NS(=O)(=O)c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide?
The InChIKey is XEBUETDXPAIGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O3S/c1-19-8-5-6-15-11(7-8)16-20(17,18)12-9(13)3-2-4-10(12)14/h2-7H,1H3,(H,15,16).
What are the key properties of 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide?
2-chloro-6-fluoro-N-(4-methoxy-2-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 2-chloro-6-fluoro-N-(4-methoxy-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 86803068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).