2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide

C21H20ClN3O2S — CID 71889811

IUPAC2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H20ClN3O2S/c22-17-11-9-16(10-12-17)13-14-28(26,27)23-15-20-19-7-4-8-21(19)25(24-20)18-5-2-1-3-6-18/h1-3,5-6,9-14,23H,4,7-8,15H2
InChIKeyRVZKOKUVAKOXFO-UHFFFAOYSA-N
MW413.93 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide

2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide (PubChem CID 71889811) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide
PubChem CID71889811
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccc(Cl)cc1)NCc1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C21H20ClN3O2S/c22-17-11-9-16(10-12-17)13-14-28(26,27)23-15-20-19-7-4-8-21(19)25(24-20)18-5-2-1-3-6-18/h1-3,5-6,9-14,23H,4,7-8,15H2
InChIKeyRVZKOKUVAKOXFO-UHFFFAOYSA-N
XLogP4.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide (CID 71889811) is 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide is O=S(=O)(C=Cc1ccc(Cl)cc1)NCc1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide?
The InChIKey is RVZKOKUVAKOXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c22-17-11-9-16(10-12-17)13-14-28(26,27)23-15-20-19-7-4-8-21(19)25(24-20)18-5-2-1-3-6-18/h1-3,5-6,9-14,23H,4,7-8,15H2.
What are the key properties of 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide?
2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide has a molecular weight of 413.93 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 71889811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).