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

C15H16N4O2S2 — CID 20947514

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)c1C
InChIInChI=1S/C15H16N4O2S2/c1-10-11(2)18-19-15(10)13-5-6-14(22-13)23(20,21)17-9-12-4-3-7-16-8-12/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyNJJWOMSXPURSFN-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.63
Rot. Bonds5

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

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 20947514) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID20947514
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)c1C
InChIInChI=1S/C15H16N4O2S2/c1-10-11(2)18-19-15(10)13-5-6-14(22-13)23(20,21)17-9-12-4-3-7-16-8-12/h3-8,17H,9H2,1-2H3,(H,18,19)
InChIKeyNJJWOMSXPURSFN-UHFFFAOYSA-N
XLogP2.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 20947514) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is NJJWOMSXPURSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-10-11(2)18-19-15(10)13-5-6-14(22-13)23(20,21)17-9-12-4-3-7-16-8-12/h3-8,17H,9H2,1-2H3,(H,18,19).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.63, 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-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).