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

C19H23N3O3S — CID 122265698

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-13-7-8-14(2)19(10-13)26(23,24)20-12-17(18-6-5-9-25-18)22-16(4)11-15(3)21-22/h5-11,17,20H,12H2,1-4H3
InChIKeyNZBJTWDGMDCMLC-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.28
Rot. Bonds6

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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 122265698) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID122265698
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(c2ccco2)n2nc(C)cc2C)c1
InChIInChI=1S/C19H23N3O3S/c1-13-7-8-14(2)19(10-13)26(23,24)20-12-17(18-6-5-9-25-18)22-16(4)11-15(3)21-22/h5-11,17,20H,12H2,1-4H3
InChIKeyNZBJTWDGMDCMLC-UHFFFAOYSA-N
XLogP3.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.28
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]-4-ethoxy-3-methylbenzenesulfonamide
CID 122265752
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122265707
N-[(2R)-2-(furan-2-yl)-2-thiophen-2-ylsulfonylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193242
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N'-(3,4-dimethylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265841
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]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
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
N'-(3-chloro-4-methylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265865

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide (CID 122265698) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(c2ccco2)n2nc(C)cc2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is NZBJTWDGMDCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-7-8-14(2)19(10-13)26(23,24)20-12-17(18-6-5-9-25-18)22-16(4)11-15(3)21-22/h5-11,17,20H,12H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.28, 6 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 122265698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).