N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide

C13H15N3O3S — CID 36903794

IUPACN-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C13H15N3O3S/c1-20(18,19)15-9-8-14-13(17)12-7-6-10-4-2-3-5-11(10)16-12/h2-7,15H,8-9H2,1H3,(H,14,17)
InChIKeyOXOVGTOFQVRDPT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.51
Rot. Bonds5

About N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide

N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide (PubChem CID 36903794) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide
PubChem CID36903794
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C13H15N3O3S/c1-20(18,19)15-9-8-14-13(17)12-7-6-10-4-2-3-5-11(10)16-12/h2-7,15H,8-9H2,1H3,(H,14,17)
InChIKeyOXOVGTOFQVRDPT-UHFFFAOYSA-N
XLogP0.51
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide (CID 36903794) is N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide?
The InChIKey is OXOVGTOFQVRDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20(18,19)15-9-8-14-13(17)12-7-6-10-4-2-3-5-11(10)16-12/h2-7,15H,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide?
N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 36903794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).