N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

C15H17N3O3S2 — CID 42350344

IUPACN-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccco2)c(-c2cccs2)n1
InChIInChI=1S/C15H17N3O3S2/c1-11(2)18-10-14(15(17-18)13-6-4-8-22-13)23(19,20)16-9-12-5-3-7-21-12/h3-8,10-11,16H,9H2,1-2H3
InChIKeyVXGIIOQLAUJTFR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.26
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350344) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350344
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccco2)c(-c2cccs2)n1
InChIInChI=1S/C15H17N3O3S2/c1-11(2)18-10-14(15(17-18)13-6-4-8-22-13)23(19,20)16-9-12-5-3-7-21-12/h3-8,10-11,16H,9H2,1-2H3
InChIKeyVXGIIOQLAUJTFR-UHFFFAOYSA-N
XLogP3.26
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42349802
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
3-methyl-1-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 42282427
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350352
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350344) is N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2ccco2)c(-c2cccs2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is VXGIIOQLAUJTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c1-11(2)18-10-14(15(17-18)13-6-4-8-22-13)23(19,20)16-9-12-5-3-7-21-12/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).