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

C13H10F3N3O3S2 — CID 53083731

IUPACN-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C13H10F3N3O3S2/c14-13(15,16)11-6-9(18-19-11)10-3-4-12(23-10)24(20,21)17-7-8-2-1-5-22-8/h1-6,17H,7H2,(H,18,19)
InChIKeyLJVDSIVETNKWEI-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.23
Rot. Bonds5

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

N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53083731) has the molecular formula C13H10F3N3O3S2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID53083731
Molecular FormulaC13H10F3N3O3S2
Molecular Weight377.37 g/mol
Exact Mass377.01
IUPAC NameN-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C13H10F3N3O3S2/c14-13(15,16)11-6-9(18-19-11)10-3-4-12(23-10)24(20,21)17-7-8-2-1-5-22-8/h1-6,17H,7H2,(H,18,19)
InChIKeyLJVDSIVETNKWEI-UHFFFAOYSA-N
XLogP3.23
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 53083731) is N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccco1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is LJVDSIVETNKWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3S2/c14-13(15,16)11-6-9(18-19-11)10-3-4-12(23-10)24(20,21)17-7-8-2-1-5-22-8/h1-6,17H,7H2,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 377.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53083731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).