5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

C14H20N4O2S2 — CID 20947501

IUPAC5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)n[nH]1
InChIInChI=1S/C14H20N4O2S2/c1-11-10-12(17-16-11)13-4-5-14(21-13)22(19,20)15-6-9-18-7-2-3-8-18/h4-5,10,15H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyBCIYYSCJENFRHR-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.82
Rot. Bonds6

About 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide

5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (PubChem CID 20947501) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
PubChem CID20947501
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC Name5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)n[nH]1
InChIInChI=1S/C14H20N4O2S2/c1-11-10-12(17-16-11)13-4-5-14(21-13)22(19,20)15-6-9-18-7-2-3-8-18/h4-5,10,15H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyBCIYYSCJENFRHR-UHFFFAOYSA-N
XLogP1.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R*,4S*)-4-cyclopropyl-1-{[2-methyl-5-(3-methyl-1H-pyrazol-5-yl)-3-thienyl]sulfonyl}pyrrolidin-3-amine
CID 72854836
5-(5-methyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20947497
N-(4-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947432
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
8-{[5-(3-methyl-1H-pyrazol-5-yl)thiophen-2-yl]sulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 20947472
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-pyrrolidin-1-ylpropyl)thiophene-2-sulfonamide
CID 20947610
N-(2-fluorophenyl)-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947431
1-(4-Fluorophenyl)-4-{[5-(3-methyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20947474
5-(5-methyl-1H-pyrazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 20947475
1-(2-Fluorophenyl)-4-{[5-(3-methyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20947485

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide (CID 20947501) is 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCCN3CCCC3)s2)n[nH]1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
The InChIKey is BCIYYSCJENFRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-11-10-12(17-16-11)13-4-5-14(21-13)22(19,20)15-6-9-18-7-2-3-8-18/h4-5,10,15H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide?
5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).