N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide

C15H16FNO2S — CID 56737871

IUPACN-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F
InChIInChI=1S/C15H16FNO2S/c1-10-5-4-6-11(2)15(10)17-20(18,19)13-7-8-14(16)12(3)9-13/h4-9,17H,1-3H3
InChIKeyZQSWVBATBMTQBL-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.55
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide

N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 56737871) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID56737871
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F
InChIInChI=1S/C15H16FNO2S/c1-10-5-4-6-11(2)15(10)17-20(18,19)13-7-8-14(16)12(3)9-13/h4-9,17H,1-3H3
InChIKeyZQSWVBATBMTQBL-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

N-(2,6-dimethylphenyl)-5-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorobenzamide
CID 5158295
N-(3-chloro-2-methylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 1256135
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705310
4-fluoro-3-methyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 850130
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892610
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
4-fluoro-3-methyl-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734172
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 2133624
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113100790
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide (CID 56737871) is N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is ZQSWVBATBMTQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-5-4-6-11(2)15(10)17-20(18,19)13-7-8-14(16)12(3)9-13/h4-9,17H,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide?
N-(2,6-dimethylphenyl)-4-fluoro-3-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-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 56737871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).