4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide

C16H14FN3O2S — CID 110869633

IUPAC4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cnc3ccccc3n2)ccc1F
InChIInChI=1S/C16H14FN3O2S/c1-11-8-13(6-7-14(11)17)23(21,22)19-10-12-9-18-15-4-2-3-5-16(15)20-12/h2-9,19H,10H2,1H3
InChIKeyLPXBFVIAZCSCPR-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.56
Rot. Bonds4

About 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide

4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide (PubChem CID 110869633) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
PubChem CID110869633
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2cnc3ccccc3n2)ccc1F
InChIInChI=1S/C16H14FN3O2S/c1-11-8-13(6-7-14(11)17)23(21,22)19-10-12-9-18-15-4-2-3-5-16(15)20-12/h2-9,19H,10H2,1H3
InChIKeyLPXBFVIAZCSCPR-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

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Related Compounds

4-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide
CID 110869626
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110728008
4-methoxy-3-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734118
4-fluoro-3-methyl-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzenesulfonamide
CID 53148402
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110416259
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-fluoro-3-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785857
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 53163241
N-(1H-benzimidazol-2-ylmethyl)-3,4-difluorobenzenesulfonamide
CID 6736481

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide (CID 110869633) is 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCc2cnc3ccccc3n2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
The InChIKey is LPXBFVIAZCSCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-8-13(6-7-14(11)17)23(21,22)19-10-12-9-18-15-4-2-3-5-16(15)20-12/h2-9,19H,10H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(quinoxalin-2-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-3-methyl-N-(quinoxalin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110869633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).