5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide

C18H21F2NO3S — CID 7940917

IUPAC5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H21F2NO3S/c1-12-9-10-13(18(2,3)4)11-16(12)25(22,23)21-14-7-5-6-8-15(14)24-17(19)20/h5-11,17,21H,1-4H3
InChIKeyIYNVJFZNYSEFIK-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.69
Rot. Bonds5

About 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide

5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide (PubChem CID 7940917) has the molecular formula C18H21F2NO3S and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
PubChem CID7940917
Molecular FormulaC18H21F2NO3S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC Name5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C18H21F2NO3S/c1-12-9-10-13(18(2,3)4)11-16(12)25(22,23)21-14-7-5-6-8-15(14)24-17(19)20/h5-11,17,21H,1-4H3
InChIKeyIYNVJFZNYSEFIK-UHFFFAOYSA-N
XLogP4.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
2-methyl-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 62998202
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide (CID 7940917) is 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide?
The InChIKey is IYNVJFZNYSEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO3S/c1-12-9-10-13(18(2,3)4)11-16(12)25(22,23)21-14-7-5-6-8-15(14)24-17(19)20/h5-11,17,21H,1-4H3.
What are the key properties of 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide?
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide has a molecular weight of 369.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 7940917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).