N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide

C16H18N4O3S — CID 122265682

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)c2cccnc2)c2ccco2)n1
InChIInChI=1S/C16H18N4O3S/c1-12-9-13(2)20(19-12)15(16-6-4-8-23-16)11-18-24(21,22)14-5-3-7-17-10-14/h3-10,15,18H,11H2,1-2H3
InChIKeyWCLMQWZBRJJBFB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 122265682) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID122265682
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)c2cccnc2)c2ccco2)n1
InChIInChI=1S/C16H18N4O3S/c1-12-9-13(2)20(19-12)15(16-6-4-8-23-16)11-18-24(21,22)14-5-3-7-17-10-14/h3-10,15,18H,11H2,1-2H3
InChIKeyWCLMQWZBRJJBFB-UHFFFAOYSA-N
XLogP2.06
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 122265752
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 122265698
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 122265766
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122265707
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 122264781
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
1-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 122244431
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122265610
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide (CID 122265682) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide is Cc1cc(C)n(C(CNS(=O)(=O)c2cccnc2)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is WCLMQWZBRJJBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-12-9-13(2)20(19-12)15(16-6-4-8-23-16)11-18-24(21,22)14-5-3-7-17-10-14/h3-10,15,18H,11H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 122265682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).