N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide

C14H13N3O2S2 — CID 22205170

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccs1
InChIInChI=1S/C14H13N3O2S2/c18-21(19,14-3-1-10-20-14)16-11-12-4-6-13(7-5-12)17-9-2-8-15-17/h1-10,16H,11H2
InChIKeySTIKBLJYQVRMAF-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.41
Rot. Bonds5

About N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide

N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 22205170) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID22205170
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccs1
InChIInChI=1S/C14H13N3O2S2/c18-21(19,14-3-1-10-20-14)16-11-12-4-6-13(7-5-12)17-9-2-8-15-17/h1-10,16H,11H2
InChIKeySTIKBLJYQVRMAF-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-pyrazol-1-ylphenyl)methyl]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

Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 51122550
4-propyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205150
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205165
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
4-chloro-2,5-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
CID 22205191
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 16566087
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]oxolane-3-sulfonamide
CID 166331946
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 122265220
5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 81100168

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide (CID 22205170) is N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccs1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is STIKBLJYQVRMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c18-21(19,14-3-1-10-20-14)16-11-12-4-6-13(7-5-12)17-9-2-8-15-17/h1-10,16H,11H2.
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide?
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 319.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22205170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).