N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

C16H29N3O3S — CID 75520566

IUPACN-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1CC(C)OC(C)C1
InChIInChI=1S/C16H29N3O3S/c1-10(2)9-19-14(6)16(13(5)17-19)23(20,21)18-15-7-11(3)22-12(4)8-15/h10-12,15,18H,7-9H2,1-6H3
InChIKeyXAMGBDGNMJRWPR-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.39
Rot. Bonds5

About N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide

N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 75520566) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID75520566
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1CC(C)OC(C)C1
InChIInChI=1S/C16H29N3O3S/c1-10(2)9-19-14(6)16(13(5)17-19)23(20,21)18-15-7-11(3)22-12(4)8-15/h10-12,15,18H,7-9H2,1-6H3
InChIKeyXAMGBDGNMJRWPR-UHFFFAOYSA-N
XLogP2.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide (CID 75520566) is N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC1CC(C)OC(C)C1.
What is the InChIKey of N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is XAMGBDGNMJRWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-10(2)9-19-14(6)16(13(5)17-19)23(20,21)18-15-7-11(3)22-12(4)8-15/h10-12,15,18H,7-9H2,1-6H3.
What are the key properties of N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide?
N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 343.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyloxan-4-yl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75520566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).