7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile

C16H12N2O2S — CID 66667800

IUPAC7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2ccccc2n2cc(S(=O)(=O)C3CC3)ccc12
InChIInChI=1S/C16H12N2O2S/c17-9-14-13-3-1-2-4-15(13)18-10-12(7-8-16(14)18)21(19,20)11-5-6-11/h1-4,7-8,10-11H,5-6H2
InChIKeyZBCFFBHDPSJXEW-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.90
Rot. Bonds2

About 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile

7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile (PubChem CID 66667800) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile.

Molecular Properties

Compound Name7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile
PubChem CID66667800
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile
SMILESN#Cc1c2ccccc2n2cc(S(=O)(=O)C3CC3)ccc12
InChIInChI=1S/C16H12N2O2S/c17-9-14-13-3-1-2-4-15(13)18-10-12(7-8-16(14)18)21(19,20)11-5-6-11/h1-4,7-8,10-11H,5-6H2
InChIKeyZBCFFBHDPSJXEW-UHFFFAOYSA-N
XLogP2.90
TPSA62.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile?
The IUPAC name of 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile (CID 66667800) is 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile.
What is the SMILES notation for 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile?
The canonical SMILES for 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile is N#Cc1c2ccccc2n2cc(S(=O)(=O)C3CC3)ccc12.
What is the InChIKey of 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile?
The InChIKey is ZBCFFBHDPSJXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c17-9-14-13-3-1-2-4-15(13)18-10-12(7-8-16(14)18)21(19,20)11-5-6-11/h1-4,7-8,10-11H,5-6H2.
What are the key properties of 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile?
7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile has a molecular weight of 296.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonylpyrido[1,2-a]indole-10-carbonitrile is sourced from PubChem (CID 66667800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).