N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

C15H14N4O2S2 — CID 664470

IUPACN-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESC=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H14N4O2S2/c1-2-9-16-14-15(18-12-7-4-3-6-11(12)17-14)19-23(20,21)13-8-5-10-22-13/h2-8,10H,1,9H2,(H,16,17)(H,18,19)
InChIKeyVOEUOQXHSJYVSP-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.09
Rot. Bonds6

About N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 664470) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID664470
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESC=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C15H14N4O2S2/c1-2-9-16-14-15(18-12-7-4-3-6-11(12)17-14)19-23(20,21)13-8-5-10-22-13/h2-8,10H,1,9H2,(H,16,17)(H,18,19)
InChIKeyVOEUOQXHSJYVSP-UHFFFAOYSA-N
XLogP3.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 664470) is N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is VOEUOQXHSJYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-2-9-16-14-15(18-12-7-4-3-6-11(12)17-14)19-23(20,21)13-8-5-10-22-13/h2-8,10H,1,9H2,(H,16,17)(H,18,19).
What are the key properties of N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 346.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(prop-2-enylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 664470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).