N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide

C12H17N3O2S2 — CID 71864010

IUPACN,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H17N3O2S2/c1-10(7-11-5-4-6-18-11)15(3)19(16,17)12-8-13-14(2)9-12/h4-6,8-10H,7H2,1-3H3
InChIKeyJSTMOTVIDDQZBG-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.73
Rot. Bonds5

About N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide

N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide (PubChem CID 71864010) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
PubChem CID71864010
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC NameN,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H17N3O2S2/c1-10(7-11-5-4-6-18-11)15(3)19(16,17)12-8-13-14(2)9-12/h4-6,8-10H,7H2,1-3H3
InChIKeyJSTMOTVIDDQZBG-UHFFFAOYSA-N
XLogP1.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)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,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide (CID 71864010) is N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is JSTMOTVIDDQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-10(7-11-5-4-6-18-11)15(3)19(16,17)12-8-13-14(2)9-12/h4-6,8-10H,7H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide?
N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71864010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).