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

C15H14F3N3O3S2 — CID 46396434

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)o1
InChIInChI=1S/C15H14F3N3O3S2/c1-8-3-4-10(24-8)7-19-26(22,23)13-6-12(25-9(13)2)11-5-14(21-20-11)15(16,17)18/h3-6,19H,7H2,1-2H3,(H,20,21)
InChIKeyDAQKSSVNMAPPLV-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.85
Rot. Bonds5

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

2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (PubChem CID 46396434) has the molecular formula C15H14F3N3O3S2 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
PubChem CID46396434
Molecular FormulaC15H14F3N3O3S2
Molecular Weight405.42 g/mol
Exact Mass405.04
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)o1
InChIInChI=1S/C15H14F3N3O3S2/c1-8-3-4-10(24-8)7-19-26(22,23)13-6-12(25-9(13)2)11-5-14(21-20-11)15(16,17)18/h3-6,19H,7H2,1-2H3,(H,20,21)
InChIKeyDAQKSSVNMAPPLV-UHFFFAOYSA-N
XLogP3.85
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide (CID 46396434) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)o1.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
The InChIKey is DAQKSSVNMAPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3S2/c1-8-3-4-10(24-8)7-19-26(22,23)13-6-12(25-9(13)2)11-5-14(21-20-11)15(16,17)18/h3-6,19H,7H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide?
2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide has a molecular weight of 405.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 46396434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).