N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide

C14H10F2N2O2S — CID 103920662

IUPACN-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1C#N
InChIInChI=1S/C14H10F2N2O2S/c1-9-3-2-4-13(11(9)8-17)18-21(19,20)14-6-5-10(15)7-12(14)16/h2-7,18H,1H3
InChIKeyUADGCPNVPHYKAL-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.95
Rot. Bonds3

About N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide

N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 103920662) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID103920662
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC NameN-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1C#N
InChIInChI=1S/C14H10F2N2O2S/c1-9-3-2-4-13(11(9)8-17)18-21(19,20)14-6-5-10(15)7-12(14)16/h2-7,18H,1H3
InChIKeyUADGCPNVPHYKAL-UHFFFAOYSA-N
XLogP2.95
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide
CID 125467787
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
N-[4-cyano-2-[(2,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzenesulfonamide
CID 70140206
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 100616708
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
N-(2-bromo-3-chlorophenyl)-2,4-difluorobenzenesulfonamide
CID 103480186
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
CID 107804201

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide (CID 103920662) is N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is UADGCPNVPHYKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-9-3-2-4-13(11(9)8-17)18-21(19,20)14-6-5-10(15)7-12(14)16/h2-7,18H,1H3.
What are the key properties of N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide?
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 103920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).