N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

C21H20FN3O5S2 — CID 2978514

IUPACN-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3ccco3)C2)cc1
InChIInChI=1S/C21H20FN3O5S2/c1-2-31(26,27)24-17-9-5-15(6-10-17)19-14-20(21-4-3-13-30-21)25(23-19)32(28,29)18-11-7-16(22)8-12-18/h3-13,20,24H,2,14H2,1H3
InChIKeyNOARFGVSYSKKFS-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.72
Rot. Bonds7

About N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide

N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (PubChem CID 2978514) has the molecular formula C21H20FN3O5S2 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
PubChem CID2978514
Molecular FormulaC21H20FN3O5S2
Molecular Weight477.54 g/mol
Exact Mass477.08
IUPAC NameN-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3ccco3)C2)cc1
InChIInChI=1S/C21H20FN3O5S2/c1-2-31(26,27)24-17-9-5-15(6-10-17)19-14-20(21-4-3-13-30-21)25(23-19)32(28,29)18-11-7-16(22)8-12-18/h3-13,20,24H,2,14H2,1H3
InChIKeyNOARFGVSYSKKFS-UHFFFAOYSA-N
XLogP3.72
TPSA109.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide (CID 2978514) is N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)C(c3ccco3)C2)cc1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
The InChIKey is NOARFGVSYSKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O5S2/c1-2-31(26,27)24-17-9-5-15(6-10-17)19-14-20(21-4-3-13-30-21)25(23-19)32(28,29)18-11-7-16(22)8-12-18/h3-13,20,24H,2,14H2,1H3.
What are the key properties of N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide?
N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide has a molecular weight of 477.54 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)sulfonyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 2978514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).