N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H13FN2O2S — CID 107326514

IUPACN-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H13FN2O2S/c1-10-7-13(16)8-11(2)15(10)21(19,20)18-14-5-3-12(9-17)4-6-14/h3-8,18H,1-2H3
InChIKeyPKXFTJUBDLYVPC-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.12
Rot. Bonds3

About N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326514) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326514
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC NameN-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C15H13FN2O2S/c1-10-7-13(16)8-11(2)15(10)21(19,20)18-14-5-3-12(9-17)4-6-14/h3-8,18H,1-2H3
InChIKeyPKXFTJUBDLYVPC-UHFFFAOYSA-N
XLogP3.12
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
4-fluoro-N-(3-hydroxy-4-methylphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327721
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
5-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 146121517
4-fluoro-N-(3-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107326957
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326514) is N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is PKXFTJUBDLYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-10-7-13(16)8-11(2)15(10)21(19,20)18-14-5-3-12(9-17)4-6-14/h3-8,18H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).