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

C17H17Cl2N3O3S — CID 122265766

IUPAC2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccco2)n1
InChIInChI=1S/C17H17Cl2N3O3S/c1-11-8-12(2)22(21-11)15(16-4-3-7-25-16)10-20-26(23,24)17-9-13(18)5-6-14(17)19/h3-9,15,20H,10H2,1-2H3
InChIKeyQMBUQZKWHDABDL-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.97
Rot. Bonds6

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

2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide (PubChem CID 122265766) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide
PubChem CID122265766
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)n(C(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccco2)n1
InChIInChI=1S/C17H17Cl2N3O3S/c1-11-8-12(2)22(21-11)15(16-4-3-7-25-16)10-20-26(23,24)17-9-13(18)5-6-14(17)19/h3-9,15,20H,10H2,1-2H3
InChIKeyQMBUQZKWHDABDL-UHFFFAOYSA-N
XLogP3.97
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]pyridine-3-sulfonamide
CID 122265682
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-(furan-2-yl)ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 122265752
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,4-difluorobenzamide
CID 122244397
N'-(3-chloro-4-methylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265865
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
N'-(2,5-difluorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265850

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide (CID 122265766) is 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide is Cc1cc(C)n(C(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccco2)n1.
What is the InChIKey of 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QMBUQZKWHDABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-11-8-12(2)22(21-11)15(16-4-3-7-25-16)10-20-26(23,24)17-9-13(18)5-6-14(17)19/h3-9,15,20H,10H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 414.31 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 122265766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).