N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C23H33NO2S — CID 19683992

IUPACN-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1C
InChIInChI=1S/C23H33NO2S/c1-13(2)20-11-10-12-21(14(3)4)22(20)24-27(25,26)23-18(8)16(6)15(5)17(7)19(23)9/h10-14,24H,1-9H3
InChIKeyOTGWGUAIRJTRKJ-UHFFFAOYSA-N
MW387.59 g/mol
LogP6.28
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 19683992) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID19683992
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1C
InChIInChI=1S/C23H33NO2S/c1-13(2)20-11-10-12-21(14(3)4)22(20)24-27(25,26)23-18(8)16(6)15(5)17(7)19(23)9/h10-14,24H,1-9H3
InChIKeyOTGWGUAIRJTRKJ-UHFFFAOYSA-N
XLogP6.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696937
N-[2,6-di(propan-2-yl)phenyl]thiophene-2-sulfonamide
CID 769134
1,3,5-trimethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 22775202
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide
CID 142667190
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
4-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]benzenesulfonamide
CID 19683986
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109061140
2,6-di(propan-2-yl)benzenesulfonic acid
CID 18935127
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
N-[2,6-di(propan-2-yl)phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19684001

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 19683992) is N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is OTGWGUAIRJTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-13(2)20-11-10-12-21(14(3)4)22(20)24-27(25,26)23-18(8)16(6)15(5)17(7)19(23)9/h10-14,24H,1-9H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 387.59 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 19683992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).