1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide

C21H18F2N4O3S — CID 86973589

IUPAC1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1nn(-c3ccc(F)c(F)c3)c3c1CCC3)CC2
InChIInChI=1S/C21H18F2N4O3S/c22-16-7-5-13(10-17(16)23)27-18-3-1-2-15(18)20(25-27)21(28)26-9-8-12-4-6-14(11-19(12)26)31(24,29)30/h4-7,10-11H,1-3,8-9H2,(H2,24,29,30)
InChIKeyNNHBWHKJDYPWAT-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.49
Rot. Bonds3

About 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide

1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86973589) has the molecular formula C21H18F2N4O3S and a molecular weight of 444.46 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86973589
Molecular FormulaC21H18F2N4O3S
Molecular Weight444.46 g/mol
Exact Mass444.11
IUPAC Name1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1nn(-c3ccc(F)c(F)c3)c3c1CCC3)CC2
InChIInChI=1S/C21H18F2N4O3S/c22-16-7-5-13(10-17(16)23)27-18-3-1-2-15(18)20(25-27)21(28)26-9-8-12-4-6-14(11-19(12)26)31(24,29)30/h4-7,10-11H,1-3,8-9H2,(H2,24,29,30)
InChIKeyNNHBWHKJDYPWAT-UHFFFAOYSA-N
XLogP2.49
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55910672
[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 71920001
[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112832473
2-hydroxyethyl 1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 71938033
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120659563
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
1-(3,4-difluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126781032
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
[1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55777585
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597702
1-(3,4-difluorophenyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55778022
1-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55772236

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide (CID 86973589) is 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1nn(-c3ccc(F)c(F)c3)c3c1CCC3)CC2.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is NNHBWHKJDYPWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3S/c22-16-7-5-13(10-17(16)23)27-18-3-1-2-15(18)20(25-27)21(28)26-9-8-12-4-6-14(11-19(12)26)31(24,29)30/h4-7,10-11H,1-3,8-9H2,(H2,24,29,30).
What are the key properties of 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide?
1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 444.46 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86973589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).