N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide

C13H13N3O2S — CID 104773617

IUPACN-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide
SMILESCC(C#N)N(C)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H13N3O2S/c1-10(9-14)16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,1-2H3
InChIKeyWETDWXHPAZNRBE-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.77
Rot. Bonds3

About N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide

N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide (PubChem CID 104773617) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide
PubChem CID104773617
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide
SMILESCC(C#N)N(C)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H13N3O2S/c1-10(9-14)16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,1-2H3
InChIKeyWETDWXHPAZNRBE-UHFFFAOYSA-N
XLogP1.77
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide (CID 104773617) is N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide is CC(C#N)N(C)S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide?
The InChIKey is WETDWXHPAZNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-10(9-14)16(2)19(17,18)13-7-3-6-12-11(13)5-4-8-15-12/h3-8,10H,1-2H3.
What are the key properties of N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide?
N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-N-methylquinoline-5-sulfonamide is sourced from PubChem (CID 104773617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).