N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide

C19H20N4O2S — CID 129187393

IUPACN-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide
SMILESN#CN1CCC(NS(=O)(=O)N2CCc3cc(-c4ccccc4)ccc32)C1
InChIInChI=1S/C19H20N4O2S/c20-14-22-10-9-18(13-22)21-26(24,25)23-11-8-17-12-16(6-7-19(17)23)15-4-2-1-3-5-15/h1-7,12,18,21H,8-11,13H2
InChIKeyCQXJRHUVXHVCBE-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.11
Rot. Bonds4

About N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide

N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide (PubChem CID 129187393) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide
PubChem CID129187393
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide
SMILESN#CN1CCC(NS(=O)(=O)N2CCc3cc(-c4ccccc4)ccc32)C1
InChIInChI=1S/C19H20N4O2S/c20-14-22-10-9-18(13-22)21-26(24,25)23-11-8-17-12-16(6-7-19(17)23)15-4-2-1-3-5-15/h1-7,12,18,21H,8-11,13H2
InChIKeyCQXJRHUVXHVCBE-UHFFFAOYSA-N
XLogP2.11
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide (CID 129187393) is N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide is N#CN1CCC(NS(=O)(=O)N2CCc3cc(-c4ccccc4)ccc32)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide?
The InChIKey is CQXJRHUVXHVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c20-14-22-10-9-18(13-22)21-26(24,25)23-11-8-17-12-16(6-7-19(17)23)15-4-2-1-3-5-15/h1-7,12,18,21H,8-11,13H2.
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide?
N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-5-phenyl-2,3-dihydroindole-1-sulfonamide is sourced from PubChem (CID 129187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).