N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide

C14H11FN2O3S — CID 107467349

IUPACN-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H11FN2O3S/c1-20-12-7-4-5-10(9-16)14(12)17-21(18,19)13-8-3-2-6-11(13)15/h2-8,17H,1H3
InChIKeyDAMLOFSYCUWQCR-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.51
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide

N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 107467349) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID107467349
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H11FN2O3S/c1-20-12-7-4-5-10(9-16)14(12)17-21(18,19)13-8-3-2-6-11(13)15/h2-8,17H,1H3
InChIKeyDAMLOFSYCUWQCR-UHFFFAOYSA-N
XLogP2.51
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 107468276
N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
methyl 3-[(2-cyano-6-methoxyphenyl)sulfamoyl]propanoate
CID 107468233

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide (CID 107467349) is N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide is COc1cccc(C#N)c1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is DAMLOFSYCUWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c1-20-12-7-4-5-10(9-16)14(12)17-21(18,19)13-8-3-2-6-11(13)15/h2-8,17H,1H3.
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide?
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107467349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).