5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide

C20H23BrN4O3S — CID 74651572

IUPAC5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C20H23BrN4O3S/c21-16-7-5-14(6-8-16)17-13-18(24-23-17)20(26)22-10-12-29(27,28)25-11-9-15-3-1-2-4-19(15)25/h1-8,17-18,23-24H,9-13H2,(H,22,26)
InChIKeyPXJREIYNIRFNCR-UHFFFAOYSA-N
MW479.40 g/mol
LogP1.87
Rot. Bonds6

About 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide (PubChem CID 74651572) has the molecular formula C20H23BrN4O3S and a molecular weight of 479.40 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide
PubChem CID74651572
Molecular FormulaC20H23BrN4O3S
Molecular Weight479.40 g/mol
Exact Mass478.07
IUPAC Name5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide
SMILESO=C(NCCS(=O)(=O)N1CCc2ccccc21)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C20H23BrN4O3S/c21-16-7-5-14(6-8-16)17-13-18(24-23-17)20(26)22-10-12-29(27,28)25-11-9-15-3-1-2-4-19(15)25/h1-8,17-18,23-24H,9-13H2,(H,22,26)
InChIKeyPXJREIYNIRFNCR-UHFFFAOYSA-N
XLogP1.87
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
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1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-pentylguanidine
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2,3-dihydroindol-1-yl-(5-phenylpyrazolidin-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide (CID 74651572) is 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide is O=C(NCCS(=O)(=O)N1CCc2ccccc21)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide?
The InChIKey is PXJREIYNIRFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3S/c21-16-7-5-14(6-8-16)17-13-18(24-23-17)20(26)22-10-12-29(27,28)25-11-9-15-3-1-2-4-19(15)25/h1-8,17-18,23-24H,9-13H2,(H,22,26).
What are the key properties of 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide has a molecular weight of 479.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 74651572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).