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

C20H27NO2S — CID 2696937

IUPACN-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C
InChIInChI=1S/C20H27NO2S/c1-13(2)18-8-7-9-19(14(3)4)20(18)21-24(22,23)17-11-10-15(5)16(6)12-17/h7-14,21H,1-6H3
InChIKeyUIKNUKNVNQWNOL-UHFFFAOYSA-N
MW345.51 g/mol
LogP5.35
Rot. Bonds5

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

N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 2696937) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID2696937
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C
InChIInChI=1S/C20H27NO2S/c1-13(2)18-8-7-9-19(14(3)4)20(18)21-24(22,23)17-11-10-15(5)16(6)12-17/h7-14,21H,1-6H3
InChIKeyUIKNUKNVNQWNOL-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 956359
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]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 19683992
N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 898813
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
CID 99582827
N-(2-hydroxy-3-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 79602574
N,3-dimethyl-4-propan-2-ylbenzenesulfonamide
CID 70996925
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
N-(2-methyl-6-propan-2-ylphenyl)-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100730465
2-methyl-N-[5-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]-2-methylsulfanylphenyl]propanamide
CID 100585104
N-tert-butyl-4-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109061140

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide (CID 2696937) is N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C(C)C)cccc2C(C)C)cc1C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is UIKNUKNVNQWNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-13(2)18-8-7-9-19(14(3)4)20(18)21-24(22,23)17-11-10-15(5)16(6)12-17/h7-14,21H,1-6H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide?
N-[2,6-di(propan-2-yl)phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 5.35, 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]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2696937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).