N-(3-quinoxalin-2-ylphenyl)methanesulfonamide

C15H13N3O2S — CID 1485426

IUPACN-(3-quinoxalin-2-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O2S/c1-21(19,20)18-12-6-4-5-11(9-12)15-10-16-13-7-2-3-8-14(13)17-15/h2-10,18H,1H3
InChIKeyWCXZAWHWAGELNN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.67
Rot. Bonds3

About N-(3-quinoxalin-2-ylphenyl)methanesulfonamide

N-(3-quinoxalin-2-ylphenyl)methanesulfonamide (PubChem CID 1485426) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(3-quinoxalin-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-quinoxalin-2-ylphenyl)methanesulfonamide
PubChem CID1485426
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(3-quinoxalin-2-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C15H13N3O2S/c1-21(19,20)18-12-6-4-5-11(9-12)15-10-16-13-7-2-3-8-14(13)17-15/h2-10,18H,1H3
InChIKeyWCXZAWHWAGELNN-UHFFFAOYSA-N
XLogP2.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-quinoxalin-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-(3-quinoxalin-2-ylphenyl)methanesulfonamide (CID 1485426) is N-(3-quinoxalin-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-quinoxalin-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-quinoxalin-2-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of N-(3-quinoxalin-2-ylphenyl)methanesulfonamide?
The InChIKey is WCXZAWHWAGELNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-21(19,20)18-12-6-4-5-11(9-12)15-10-16-13-7-2-3-8-14(13)17-15/h2-10,18H,1H3.
What are the key properties of N-(3-quinoxalin-2-ylphenyl)methanesulfonamide?
N-(3-quinoxalin-2-ylphenyl)methanesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-quinoxalin-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 1485426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).