N-butylsulfonylisoquinoline-1-carboxamide

C14H16N2O3S — CID 75371415

IUPACN-butylsulfonylisoquinoline-1-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1nccc2ccccc12
InChIInChI=1S/C14H16N2O3S/c1-2-3-10-20(18,19)16-14(17)13-12-7-5-4-6-11(12)8-9-15-13/h4-9H,2-3,10H2,1H3,(H,16,17)
InChIKeyJTOHJUMJALIUNG-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.09
Rot. Bonds5

About N-butylsulfonylisoquinoline-1-carboxamide

N-butylsulfonylisoquinoline-1-carboxamide (PubChem CID 75371415) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-butylsulfonylisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-butylsulfonylisoquinoline-1-carboxamide
PubChem CID75371415
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-butylsulfonylisoquinoline-1-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1nccc2ccccc12
InChIInChI=1S/C14H16N2O3S/c1-2-3-10-20(18,19)16-14(17)13-12-7-5-4-6-11(12)8-9-15-13/h4-9H,2-3,10H2,1H3,(H,16,17)
InChIKeyJTOHJUMJALIUNG-UHFFFAOYSA-N
XLogP2.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butylsulfonylisoquinoline-1-carboxamide?
The IUPAC name of N-butylsulfonylisoquinoline-1-carboxamide (CID 75371415) is N-butylsulfonylisoquinoline-1-carboxamide.
What is the SMILES notation for N-butylsulfonylisoquinoline-1-carboxamide?
The canonical SMILES for N-butylsulfonylisoquinoline-1-carboxamide is CCCCS(=O)(=O)NC(=O)c1nccc2ccccc12.
What is the InChIKey of N-butylsulfonylisoquinoline-1-carboxamide?
The InChIKey is JTOHJUMJALIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-3-10-20(18,19)16-14(17)13-12-7-5-4-6-11(12)8-9-15-13/h4-9H,2-3,10H2,1H3,(H,16,17).
What are the key properties of N-butylsulfonylisoquinoline-1-carboxamide?
N-butylsulfonylisoquinoline-1-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonylisoquinoline-1-carboxamide is sourced from PubChem (CID 75371415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).