2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide

C17H22N2O2S — CID 110870428

IUPAC2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)(C)c2ccncc2)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-12-10-13(2)16(14(3)11-12)22(20,21)19-17(4,5)15-6-8-18-9-7-15/h6-11,19H,1-5H3
InChIKeyHLUYTTQJYDDOOM-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.22
Rot. Bonds4

About 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide (PubChem CID 110870428) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide
PubChem CID110870428
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC(C)(C)c2ccncc2)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-12-10-13(2)16(14(3)11-12)22(20,21)19-17(4,5)15-6-8-18-9-7-15/h6-11,19H,1-5H3
InChIKeyHLUYTTQJYDDOOM-UHFFFAOYSA-N
XLogP3.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 61263608
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 3844087
pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide
CID 4743591
methyl 2-amino-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 141030376
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
N-[(E)-(4-tert-butylphenyl)methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 110516894
4-amino-N-tert-butyl-2,6-dimethylbenzenesulfonamide
CID 79589176
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
2-tert-butylsulfonyl-1,3,5-trimethylbenzene
CID 4069856
3,5-dimethyl-N-(2-pyridin-3-ylpropan-2-yl)-1,2-oxazole-4-sulfonamide
CID 110870356
1,3-bis(2-pyridin-4-ylpropan-2-yl)urea
CID 4120557

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide (CID 110870428) is 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC(C)(C)c2ccncc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is HLUYTTQJYDDOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-10-13(2)16(14(3)11-12)22(20,21)19-17(4,5)15-6-8-18-9-7-15/h6-11,19H,1-5H3.
What are the key properties of 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-pyridin-4-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 110870428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).