5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide

C15H12F2N2O3S — CID 71970973

IUPAC5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(F)c(NS(=O)(=O)c2cc(C#N)ccc2C)cc1F
InChIInChI=1S/C15H12F2N2O3S/c1-9-3-4-10(8-18)5-15(9)23(20,21)19-13-6-12(17)14(22-2)7-11(13)16/h3-7,19H,1-2H3
InChIKeyHKNJBRPUXPOVIH-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.95
Rot. Bonds4

About 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide

5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide (PubChem CID 71970973) has the molecular formula C15H12F2N2O3S and a molecular weight of 338.34 g/mol. Its IUPAC name is 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
PubChem CID71970973
Molecular FormulaC15H12F2N2O3S
Molecular Weight338.34 g/mol
Exact Mass338.05
IUPAC Name5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide
SMILESCOc1cc(F)c(NS(=O)(=O)c2cc(C#N)ccc2C)cc1F
InChIInChI=1S/C15H12F2N2O3S/c1-9-3-4-10(8-18)5-15(9)23(20,21)19-13-6-12(17)14(22-2)7-11(13)16/h3-7,19H,1-2H3
InChIKeyHKNJBRPUXPOVIH-UHFFFAOYSA-N
XLogP2.95
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
5-bromo-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 103791841
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630
methyl 2-[(5-cyano-2-methylphenyl)sulfamoyl]-4-fluorobenzoate
CID 71879822
N-(4-cyano-2-methoxyphenyl)-4-oxo-1H-pyridine-3-sulfonamide
CID 104849801
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
CID 106912855
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylpropane-1-sulfonamide
CID 104849226
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
CID 115749656
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide (CID 71970973) is 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide is COc1cc(F)c(NS(=O)(=O)c2cc(C#N)ccc2C)cc1F.
What is the InChIKey of 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
The InChIKey is HKNJBRPUXPOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O3S/c1-9-3-4-10(8-18)5-15(9)23(20,21)19-13-6-12(17)14(22-2)7-11(13)16/h3-7,19H,1-2H3.
What are the key properties of 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide?
5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide has a molecular weight of 338.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2,5-difluoro-4-methoxyphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 71970973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).