N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

C23H33NO2S — CID 2058209

IUPACN-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C23H33NO2S/c1-14(2)19-12-20(15(3)4)23(21(13-19)16(5)6)27(25,26)24-22-11-17(7)9-10-18(22)8/h9-16,24H,1-8H3
InChIKeyCOJYIFKJMHOZJL-UHFFFAOYSA-N
MW387.59 g/mol
LogP6.47
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 2058209) has the molecular formula C23H33NO2S and a molecular weight of 387.59 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID2058209
Molecular FormulaC23H33NO2S
Molecular Weight387.59 g/mol
Exact Mass387.22
IUPAC NameN-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C23H33NO2S/c1-14(2)19-12-20(15(3)4)23(21(13-19)16(5)6)27(25,26)24-22-11-17(7)9-10-18(22)8/h9-16,24H,1-8H3
InChIKeyCOJYIFKJMHOZJL-UHFFFAOYSA-N
XLogP6.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.59
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3256041
N-(2,5-dimethylphenyl)propane-2-sulfonamide
CID 62997790
N-(4-chloro-2-formylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 46918839
N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407231
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
N-[4-(hydroxymethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4677892
N-[2-(benzyliminomethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 70984488
N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 123143002
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 43257318
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 2058209) is N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is COJYIFKJMHOZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2S/c1-14(2)19-12-20(15(3)4)23(21(13-19)16(5)6)27(25,26)24-22-11-17(7)9-10-18(22)8/h9-16,24H,1-8H3.
What are the key properties of N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 387.59 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 2058209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).