4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide

C16H14FN3O2S — CID 110672303

IUPAC4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc2nccnc2c1
InChIInChI=1S/C16H14FN3O2S/c1-11-8-13(17)3-5-16(11)23(21,22)20-10-12-2-4-14-15(9-12)19-7-6-18-14/h2-9,20H,10H2,1H3
InChIKeyJCLKDLKDGFLOIH-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.56
Rot. Bonds4

About 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide

4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide (PubChem CID 110672303) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
PubChem CID110672303
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc2nccnc2c1
InChIInChI=1S/C16H14FN3O2S/c1-11-8-13(17)3-5-16(11)23(21,22)20-10-12-2-4-14-15(9-12)19-7-6-18-14/h2-9,20H,10H2,1H3
InChIKeyJCLKDLKDGFLOIH-UHFFFAOYSA-N
XLogP2.56
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723750
4-fluoro-2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 100691010
4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylbenzenesulfonamide
CID 95176032
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 122254131
4-fluoro-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]benzenesulfonamide
CID 84599040
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
N-(6-chlorohexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114008823
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide (CID 110672303) is 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ccc2nccnc2c1.
What is the InChIKey of 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
The InChIKey is JCLKDLKDGFLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-8-13(17)3-5-16(11)23(21,22)20-10-12-2-4-14-15(9-12)19-7-6-18-14/h2-9,20H,10H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110672303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).