6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one

C15H14N2O3S — CID 2219000

IUPAC6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3cccc1c23
InChIInChI=1S/C15H14N2O3S/c18-15-11-5-3-4-10-13(7-6-12(16-15)14(10)11)21(19,20)17-8-1-2-9-17/h3-7H,1-2,8-9H2,(H,16,18)
InChIKeyKTGGEWBZLWBDCL-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.19
Rot. Bonds2

About 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one

6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one (PubChem CID 2219000) has the molecular formula C15H14N2O3S and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one
PubChem CID2219000
Molecular FormulaC15H14N2O3S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3cccc1c23
InChIInChI=1S/C15H14N2O3S/c18-15-11-5-3-4-10-13(7-6-12(16-15)14(10)11)21(19,20)17-8-1-2-9-17/h3-7H,1-2,8-9H2,(H,16,18)
InChIKeyKTGGEWBZLWBDCL-UHFFFAOYSA-N
XLogP2.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one (CID 2219000) is 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one is O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3cccc1c23.
What is the InChIKey of 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one?
The InChIKey is KTGGEWBZLWBDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-15-11-5-3-4-10-13(7-6-12(16-15)14(10)11)21(19,20)17-8-1-2-9-17/h3-7H,1-2,8-9H2,(H,16,18).
What are the key properties of 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one?
6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one has a molecular weight of 302.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylsulfonyl-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 2219000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).