5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

C15H13F3N4O2S2 — CID 2820356

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2S2/c1-22-13(15(16,17)18)7-11(21-22)12-4-5-14(25-12)26(23,24)20-9-10-3-2-6-19-8-10/h2-8,20H,9H2,1H3
InChIKeyDCTQLDIVEXXUPY-UHFFFAOYSA-N
MW402.42 g/mol
LogP3.04
Rot. Bonds5

About 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 2820356) has the molecular formula C15H13F3N4O2S2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID2820356
Molecular FormulaC15H13F3N4O2S2
Molecular Weight402.42 g/mol
Exact Mass402.04
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cc1C(F)(F)F
InChIInChI=1S/C15H13F3N4O2S2/c1-22-13(15(16,17)18)7-11(21-22)12-4-5-14(25-12)26(23,24)20-9-10-3-2-6-19-8-10/h2-8,20H,9H2,1H3
InChIKeyDCTQLDIVEXXUPY-UHFFFAOYSA-N
XLogP3.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide (CID 2820356) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(=O)(=O)NCc3cccnc3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DCTQLDIVEXXUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S2/c1-22-13(15(16,17)18)7-11(21-22)12-4-5-14(25-12)26(23,24)20-9-10-3-2-6-19-8-10/h2-8,20H,9H2,1H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 402.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).