6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide

C13H10FN3O3S — CID 115602183

IUPAC6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F
InChIInChI=1S/C13H10FN3O3S/c1-20-13-5-3-9(6-12(13)14)17-21(18,19)11-4-2-10(7-15)16-8-11/h2-6,8,17H,1H3
InChIKeySQKYLCKUHGEUNI-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.90
Rot. Bonds4

About 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide

6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide (PubChem CID 115602183) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
PubChem CID115602183
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC Name6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F
InChIInChI=1S/C13H10FN3O3S/c1-20-13-5-3-9(6-12(13)14)17-21(18,19)11-4-2-10(7-15)16-8-11/h2-6,8,17H,1H3
InChIKeySQKYLCKUHGEUNI-UHFFFAOYSA-N
XLogP1.90
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
6-cyano-N-(2-methoxy-5-methylphenyl)pyridine-3-sulfonamide
CID 115602142
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
6-cyano-N-(3-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 115602109
N-(2-chloro-4-pyridinyl)-6-cyanopyridine-3-sulfonamide
CID 113356248
6-cyano-N-[3-(dimethylamino)phenyl]pyridine-3-sulfonamide
CID 114613901
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
6-cyano-N-[3-(methylaminomethyl)phenyl]pyridine-3-sulfonamide
CID 114614834
6-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-sulfonamide
CID 115588666
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide (CID 115602183) is 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F.
What is the InChIKey of 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is SQKYLCKUHGEUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c1-20-13-5-3-9(6-12(13)14)17-21(18,19)11-4-2-10(7-15)16-8-11/h2-6,8,17H,1H3.
What are the key properties of 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide?
6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 307.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-fluoro-4-methoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).