N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

C17H14N4O3S2 — CID 663416

IUPACN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1
InChIInChI=1S/C17H14N4O3S2/c22-26(23,15-8-4-10-25-15)21-17-16(18-11-12-5-3-9-24-12)19-13-6-1-2-7-14(13)20-17/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyGCEVZWSXSWVMCX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.70
Rot. Bonds6

About N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 663416) has the molecular formula C17H14N4O3S2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID663416
Molecular FormulaC17H14N4O3S2
Molecular Weight386.46 g/mol
Exact Mass386.05
IUPAC NameN-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1
InChIInChI=1S/C17H14N4O3S2/c22-26(23,15-8-4-10-25-15)21-17-16(18-11-12-5-3-9-24-12)19-13-6-1-2-7-14(13)20-17/h1-10H,11H2,(H,18,19)(H,20,21)
InChIKeyGCEVZWSXSWVMCX-UHFFFAOYSA-N
XLogP3.70
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 663416) is N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1.
What is the InChIKey of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is GCEVZWSXSWVMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S2/c22-26(23,15-8-4-10-25-15)21-17-16(18-11-12-5-3-9-24-12)19-13-6-1-2-7-14(13)20-17/h1-10H,11H2,(H,18,19)(H,20,21).
What are the key properties of N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 386.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 663416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).