N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide

C13H13N3O2S3 — CID 60929148

IUPACN,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C13H13N3O2S3/c17-21(18,13-7-14-15-8-13)16(9-11-3-1-5-19-11)10-12-4-2-6-20-12/h1-8H,9-10H2,(H,14,15)
InChIKeyNCTIAFVSZQQSJK-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.92
Rot. Bonds6

About N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide

N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60929148) has the molecular formula C13H13N3O2S3 and a molecular weight of 339.47 g/mol. Its IUPAC name is N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60929148
Molecular FormulaC13H13N3O2S3
Molecular Weight339.47 g/mol
Exact Mass339.02
IUPAC NameN,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(c1cn[nH]c1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C13H13N3O2S3/c17-21(18,13-7-14-15-8-13)16(9-11-3-1-5-19-11)10-12-4-2-6-20-12/h1-8H,9-10H2,(H,14,15)
InChIKeyNCTIAFVSZQQSJK-UHFFFAOYSA-N
XLogP2.92
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-bis(thiophen-2-ylmethyl)-1H-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

Related Compounds

4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727
1-(1H-pyrazol-4-ylsulfonyl)-4-(thiophen-2-ylmethyl)piperazine
CID 60929020
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61040679
4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892
N-ethyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61438022
N-ethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 47267553
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
4-[benzyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169521
N-[(2-aminophenyl)methyl]-N-ethyl-1H-pyrazole-4-sulfonamide
CID 54936964

Frequently Asked Questions

What is the IUPAC name of N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 60929148) is N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(c1cn[nH]c1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NCTIAFVSZQQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S3/c17-21(18,13-7-14-15-8-13)16(9-11-3-1-5-19-11)10-12-4-2-6-20-12/h1-8H,9-10H2,(H,14,15).
What are the key properties of N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide?
N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(thiophen-2-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60929148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).