5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide

C18H22FNO2S — CID 7939111

IUPAC5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C18H22FNO2S/c1-12-7-9-15(19)11-16(12)20-23(21,22)17-10-14(18(3,4)5)8-6-13(17)2/h6-11,20H,1-5H3
InChIKeyJJQQEPRCVGRHCS-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.54
Rot. Bonds3

About 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide

5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 7939111) has the molecular formula C18H22FNO2S and a molecular weight of 335.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID7939111
Molecular FormulaC18H22FNO2S
Molecular Weight335.44 g/mol
Exact Mass335.14
IUPAC Name5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C18H22FNO2S/c1-12-7-9-15(19)11-16(12)20-23(21,22)17-10-14(18(3,4)5)8-6-13(17)2/h6-11,20H,1-5H3
InChIKeyJJQQEPRCVGRHCS-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
methyl 3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 7938266
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
N-(5-fluoro-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62142787
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide (CID 7939111) is 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is JJQQEPRCVGRHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2S/c1-12-7-9-15(19)11-16(12)20-23(21,22)17-10-14(18(3,4)5)8-6-13(17)2/h6-11,20H,1-5H3.
What are the key properties of 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 335.44 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 7939111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).