4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

C20H17Cl2FN2O3S — CID 91573418

IUPAC4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(-c2cnc(C)cc2Cl)c(Cl)cc1F
InChIInChI=1S/C20H17Cl2FN2O3S/c1-12-7-16(21)15(11-24-12)14-8-20(18(23)9-17(14)22)29(26,27)25-10-13-5-3-4-6-19(13)28-2/h3-9,11,25H,10H2,1-2H3
InChIKeyDEHFWZJXOBKIKX-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.99
Rot. Bonds6

About 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide

4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 91573418) has the molecular formula C20H17Cl2FN2O3S and a molecular weight of 455.34 g/mol. Its IUPAC name is 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID91573418
Molecular FormulaC20H17Cl2FN2O3S
Molecular Weight455.34 g/mol
Exact Mass454.03
IUPAC Name4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(-c2cnc(C)cc2Cl)c(Cl)cc1F
InChIInChI=1S/C20H17Cl2FN2O3S/c1-12-7-16(21)15(11-24-12)14-8-20(18(23)9-17(14)22)29(26,27)25-10-13-5-3-4-6-19(13)28-2/h3-9,11,25H,10H2,1-2H3
InChIKeyDEHFWZJXOBKIKX-UHFFFAOYSA-N
XLogP4.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 18284689
4-methoxy-3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
CID 1264019
US10370333, Example III-18
CID 89768295
N-(amino(((5,6-bis(4-chlorophenyl)pyridin-3-yl)methyl)amino)methylene)-3-methoxybenzenesulfonamide
CID 134227737
1-[5-[4-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559488
1-[5-[4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559540
4-chloro-N-[5-chloro-2-(2,6-dimethylphenoxy)pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 11691683
3-[3-(3-Chloro-4-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
CID 18754704
3-Fluoro-5-[3-[3-methyl-4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
CID 18754825
3-[3-(4-Chloro-3-methoxyphenyl)-2-pyridinyl]-5-fluorobenzenesulfonamide
CID 18754829
3-Fluoro-5-[3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]benzenesulfonamide
CID 18754845
4-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 19844936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide (CID 91573418) is 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cc(-c2cnc(C)cc2Cl)c(Cl)cc1F.
What is the InChIKey of 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is DEHFWZJXOBKIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O3S/c1-12-7-16(21)15(11-24-12)14-8-20(18(23)9-17(14)22)29(26,27)25-10-13-5-3-4-6-19(13)28-2/h3-9,11,25H,10H2,1-2H3.
What are the key properties of 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide?
4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 455.34 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-chloro-6-methyl-3-pyridinyl)-2-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 91573418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).