N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C21H23N3O4S — CID 131898474

IUPACN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCC3CC(=O)N(C4CCCC4)C3)c3cccc1c23
InChIInChI=1S/C21H23N3O4S/c25-19-10-13(12-24(19)14-4-1-2-5-14)11-22-29(27,28)18-9-8-17-20-15(18)6-3-7-16(20)21(26)23-17/h3,6-9,13-14,22H,1-2,4-5,10-12H2,(H,23,26)
InChIKeyUUXUUSYCKHFFDQ-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.47
Rot. Bonds5

About N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 131898474) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID131898474
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)NCC3CC(=O)N(C4CCCC4)C3)c3cccc1c23
InChIInChI=1S/C21H23N3O4S/c25-19-10-13(12-24(19)14-4-1-2-5-14)11-22-29(27,28)18-9-8-17-20-15(18)6-3-7-16(20)21(26)23-17/h3,6-9,13-14,22H,1-2,4-5,10-12H2,(H,23,26)
InChIKeyUUXUUSYCKHFFDQ-UHFFFAOYSA-N
XLogP2.47
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 131898474) is N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)NCC3CC(=O)N(C4CCCC4)C3)c3cccc1c23.
What is the InChIKey of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is UUXUUSYCKHFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c25-19-10-13(12-24(19)14-4-1-2-5-14)11-22-29(27,28)18-9-8-17-20-15(18)6-3-7-16(20)21(26)23-17/h3,6-9,13-14,22H,1-2,4-5,10-12H2,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 413.50 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 131898474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).