N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide

C20H27NO2S — CID 22774422

IUPACN-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C20H27NO2S/c1-7-13(2)18-10-8-9-11-19(18)21-24(22,23)20-16(5)14(3)12-15(4)17(20)6/h8-13,21H,7H2,1-6H3
InChIKeyXENMRYVCDGELEF-UHFFFAOYSA-N
MW345.51 g/mol
LogP5.23
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 22774422) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID22774422
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCC(C)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C20H27NO2S/c1-7-13(2)18-10-8-9-11-19(18)21-24(22,23)20-16(5)14(3)12-15(4)17(20)6/h8-13,21H,7H2,1-6H3
InChIKeyXENMRYVCDGELEF-UHFFFAOYSA-N
XLogP5.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
3-[[2-[(2S)-butan-2-yl]phenyl]sulfamoyl]-4-methylbenzoate
CID 8822853
N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
4-bromo-N-(2-butan-2-ylphenyl)-2-ethylbenzenesulfonamide
CID 3822768
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-[2-[(2S)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055939
N-[2-[(2R)-butan-2-yl]phenyl]-3,4-diethoxybenzenesulfonamide
CID 9055938
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
CID 8025055

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 22774422) is N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide is CCC(C)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is XENMRYVCDGELEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-7-13(2)18-10-8-9-11-19(18)21-24(22,23)20-16(5)14(3)12-15(4)17(20)6/h8-13,21H,7H2,1-6H3.
What are the key properties of N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 22774422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).