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

C14H12F3N3O3S2 — CID 2820355

IUPACN-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O3S2/c1-20-12(14(15,16)17)7-10(19-20)11-4-5-13(24-11)25(21,22)18-8-9-3-2-6-23-9/h2-7,18H,8H2,1H3
InChIKeyXTHBVYDBNLNWHW-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.24
Rot. Bonds5

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

N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 2820355) has the molecular formula C14H12F3N3O3S2 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID2820355
Molecular FormulaC14H12F3N3O3S2
Molecular Weight391.40 g/mol
Exact Mass391.03
IUPAC NameN-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide
SMILESCn1nc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O3S2/c1-20-12(14(15,16)17)7-10(19-20)11-4-5-13(24-11)25(21,22)18-8-9-3-2-6-23-9/h2-7,18H,8H2,1H3
InChIKeyXTHBVYDBNLNWHW-UHFFFAOYSA-N
XLogP3.24
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide (CID 2820355) is N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is Cn1nc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)cc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is XTHBVYDBNLNWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S2/c1-20-12(14(15,16)17)7-10(19-20)11-4-5-13(24-11)25(21,22)18-8-9-3-2-6-23-9/h2-7,18H,8H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 391.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 2820355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).