4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C18H27N3O2S — CID 17482507

IUPAC4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3O2S/c1-11-9-15(18(5,6)7)10-12(2)17(11)24(22,23)20-16-13(3)19-21(8)14(16)4/h9-10,20H,1-8H3
InChIKeyAYRMDMXSSQNCIA-UHFFFAOYSA-N
MW349.50 g/mol
LogP3.75
Rot. Bonds3

About 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 17482507) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID17482507
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3O2S/c1-11-9-15(18(5,6)7)10-12(2)17(11)24(22,23)20-16-13(3)19-21(8)14(16)4/h9-10,20H,1-8H3
InChIKeyAYRMDMXSSQNCIA-UHFFFAOYSA-N
XLogP3.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
US9156811, Ddd86212
CID 58561096
US9156811, Ddd88196
CID 58561193
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 17482507) is 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is AYRMDMXSSQNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-11-9-15(18(5,6)7)10-12(2)17(11)24(22,23)20-16-13(3)19-21(8)14(16)4/h9-10,20H,1-8H3.
What are the key properties of 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 349.50 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 17482507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).