N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide

C15H17N3O2S3 — CID 122161689

IUPACN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nn(CCNS(=O)(=O)c2cccs2)c(C)c1-c1ccsc1
InChIInChI=1S/C15H17N3O2S3/c1-11-15(13-5-9-21-10-13)12(2)18(17-11)7-6-16-23(19,20)14-4-3-8-22-14/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyWVBIEHXZFVPCHM-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 122161689) has the molecular formula C15H17N3O2S3 and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID122161689
Molecular FormulaC15H17N3O2S3
Molecular Weight367.52 g/mol
Exact Mass367.05
IUPAC NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1nn(CCNS(=O)(=O)c2cccs2)c(C)c1-c1ccsc1
InChIInChI=1S/C15H17N3O2S3/c1-11-15(13-5-9-21-10-13)12(2)18(17-11)7-6-16-23(19,20)14-4-3-8-22-14/h3-5,8-10,16H,6-7H2,1-2H3
InChIKeyWVBIEHXZFVPCHM-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-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-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 122161689) is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide is Cc1nn(CCNS(=O)(=O)c2cccs2)c(C)c1-c1ccsc1.
What is the InChIKey of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WVBIEHXZFVPCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S3/c1-11-15(13-5-9-21-10-13)12(2)18(17-11)7-6-16-23(19,20)14-4-3-8-22-14/h3-5,8-10,16H,6-7H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122161689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).