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

C16H18N4O2S2 — CID 664661

IUPACN-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N4O2S2/c1-2-3-10-17-15-16(19-13-8-5-4-7-12(13)18-15)20-24(21,22)14-9-6-11-23-14/h4-9,11H,2-3,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyWYUVEYGNMZWUQA-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.70
Rot. Bonds7

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

N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 664661) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID664661
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC NameN-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N4O2S2/c1-2-3-10-17-15-16(19-13-8-5-4-7-12(13)18-15)20-24(21,22)14-9-6-11-23-14/h4-9,11H,2-3,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyWYUVEYGNMZWUQA-UHFFFAOYSA-N
XLogP3.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 664661) is N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is WYUVEYGNMZWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-2-3-10-17-15-16(19-13-8-5-4-7-12(13)18-15)20-24(21,22)14-9-6-11-23-14/h4-9,11H,2-3,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 664661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).