5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C14H15N3O2S3 — CID 20947581

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)c1C
InChIInChI=1S/C14H15N3O2S3/c1-9-10(2)16-17-14(9)12-5-6-13(21-12)22(18,19)15-8-11-4-3-7-20-11/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyWEBNXHGQPQUBNV-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.30
Rot. Bonds5

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 20947581) has the molecular formula C14H15N3O2S3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID20947581
Molecular FormulaC14H15N3O2S3
Molecular Weight353.49 g/mol
Exact Mass353.03
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)c1C
InChIInChI=1S/C14H15N3O2S3/c1-9-10(2)16-17-14(9)12-5-6-13(21-12)22(18,19)15-8-11-4-3-7-20-11/h3-7,15H,8H2,1-2H3,(H,16,17)
InChIKeyWEBNXHGQPQUBNV-UHFFFAOYSA-N
XLogP3.30
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56663203
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3,5-dithiophen-2-yl-1H-pyrazole
CID 56673575
Pendrin inhibitor C01
CID 53138907
5-Methylsulfonyl-3-(thiophen-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 28097452
5-(5-methyl-1H-pyrazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 20947471
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
5-Phenyl-3-(thiophen-2-yl)-1h-pyrazole
CID 12226798
2-Methyl-5-(3-methyl-1H-pyrazol-5-YL)-N-(1,2,3,4-tetrahydronaphthalen-1-YL)thiophene-3-sulfonamide
CID 53138862
N-tert-butyl-5-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947418
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 20947501

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 20947581) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is WEBNXHGQPQUBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S3/c1-9-10(2)16-17-14(9)12-5-6-13(21-12)22(18,19)15-8-11-4-3-7-20-11/h3-7,15H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 353.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).