N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide

C15H16FNO2S — CID 169372704

IUPACN-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2C)cc1
InChIInChI=1S/C15H16FNO2S/c1-10-4-7-13(8-5-10)20(18,19)17-14-9-6-11(2)15(16)12(14)3/h4-9,17H,1-3H3
InChIKeyDLQSPKZUFVVAIJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.55
Rot. Bonds3

About N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide

N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169372704) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
PubChem CID169372704
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2C)cc1
InChIInChI=1S/C15H16FNO2S/c1-10-4-7-13(8-5-10)20(18,19)17-14-9-6-11(2)15(16)12(14)3/h4-9,17H,1-3H3
InChIKeyDLQSPKZUFVVAIJ-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372369
N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 49188729
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
[3-fluoro-4-[(4-methylphenyl)sulfonylamino]phenyl] thiocyanate
CID 7938410
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073
N-(2-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 43384594

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide (CID 169372704) is N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2C)cc1.
What is the InChIKey of N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DLQSPKZUFVVAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-4-7-13(8-5-10)20(18,19)17-14-9-6-11(2)15(16)12(14)3/h4-9,17H,1-3H3.
What are the key properties of N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide?
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).