N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide

C18H20FN3O3S — CID 122265707

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)Cc2ccccc2F)c2ccco2)n1
InChIInChI=1S/C18H20FN3O3S/c1-13-10-14(2)22(21-13)17(18-8-5-9-25-18)11-20-26(23,24)12-15-6-3-4-7-16(15)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyPLHVGTCEXXYXPR-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.94
Rot. Bonds7

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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (PubChem CID 122265707) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
PubChem CID122265707
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)Cc2ccccc2F)c2ccco2)n1
InChIInChI=1S/C18H20FN3O3S/c1-13-10-14(2)22(21-13)17(18-8-5-9-25-18)11-20-26(23,24)12-15-6-3-4-7-16(15)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyPLHVGTCEXXYXPR-UHFFFAOYSA-N
XLogP2.94
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]pyridine-3-sulfonamide
CID 122265682
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 122265698
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,4-difluorobenzamide
CID 122244397
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]furan-2-carboxamide
CID 122244387
N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265850
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
2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
CID 122244404

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide (CID 122265707) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is Cc1cc(C)n(C(CNS(=O)(=O)Cc2ccccc2F)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
The InChIKey is PLHVGTCEXXYXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-13-10-14(2)22(21-13)17(18-8-5-9-25-18)11-20-26(23,24)12-15-6-3-4-7-16(15)19/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 122265707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).