N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide

C13H17N3O3S — CID 126833383

IUPACN-cinnolin-3-yl-2-methoxybutane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1cc2ccccc2nn1)OC
InChIInChI=1S/C13H17N3O3S/c1-3-11(19-2)9-20(17,18)16-13-8-10-6-4-5-7-12(10)14-15-13/h4-8,11H,3,9H2,1-2H3,(H,15,16)
InChIKeyMRCOBJHRFXYFBN-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.80
Rot. Bonds6

About N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide

N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide (PubChem CID 126833383) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-cinnolin-3-yl-2-methoxybutane-1-sulfonamide
PubChem CID126833383
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-cinnolin-3-yl-2-methoxybutane-1-sulfonamide
SMILESCCC(CS(=O)(=O)Nc1cc2ccccc2nn1)OC
InChIInChI=1S/C13H17N3O3S/c1-3-11(19-2)9-20(17,18)16-13-8-10-6-4-5-7-12(10)14-15-13/h4-8,11H,3,9H2,1-2H3,(H,15,16)
InChIKeyMRCOBJHRFXYFBN-UHFFFAOYSA-N
XLogP1.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide?
The IUPAC name of N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide (CID 126833383) is N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide.
What is the SMILES notation for N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide?
The canonical SMILES for N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide is CCC(CS(=O)(=O)Nc1cc2ccccc2nn1)OC.
What is the InChIKey of N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide?
The InChIKey is MRCOBJHRFXYFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-11(19-2)9-20(17,18)16-13-8-10-6-4-5-7-12(10)14-15-13/h4-8,11H,3,9H2,1-2H3,(H,15,16).
What are the key properties of N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide?
N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cinnolin-3-yl-2-methoxybutane-1-sulfonamide is sourced from PubChem (CID 126833383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).