N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide

C11H17N3O3S — CID 104709968

IUPACN,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C11H17N3O3S/c1-13-11(7-8-12-13)18(16,17)14(2)9-3-5-10(15)6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyUICCIYWGTJVXOH-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.55
Rot. Bonds3

About N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide

N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide (PubChem CID 104709968) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide
PubChem CID104709968
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide
SMILESCN(C1CCC(=O)CC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C11H17N3O3S/c1-13-11(7-8-12-13)18(16,17)14(2)9-3-5-10(15)6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyUICCIYWGTJVXOH-UHFFFAOYSA-N
XLogP0.55
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-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-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
The IUPAC name of N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide (CID 104709968) is N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide is CN(C1CCC(=O)CC1)S(=O)(=O)c1ccnn1C.
What is the InChIKey of N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
The InChIKey is UICCIYWGTJVXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13-11(7-8-12-13)18(16,17)14(2)9-3-5-10(15)6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide?
N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-oxocyclohexyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 104709968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).