4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide

C15H12FN3O2S — CID 110723750

IUPAC4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C15H12FN3O2S/c1-10-8-11(16)2-5-15(10)22(20,21)19-12-3-4-13-14(9-12)18-7-6-17-13/h2-9,19H,1H3
InChIKeyQFWKECXJPSSNQG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.88
Rot. Bonds3

About 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide

4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide (PubChem CID 110723750) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
PubChem CID110723750
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C15H12FN3O2S/c1-10-8-11(16)2-5-15(10)22(20,21)19-12-3-4-13-14(9-12)18-7-6-17-13/h2-9,19H,1H3
InChIKeyQFWKECXJPSSNQG-UHFFFAOYSA-N
XLogP2.88
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
4-fluoro-2-methyl-N-(1-propan-2-ylbenzimidazol-5-yl)benzenesulfonamide
CID 110779156
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
N-[3-(aminomethyl)-4-fluorophenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 62315894
3-chloro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 11244517
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
CID 113009667
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide (CID 110723750) is 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
The InChIKey is QFWKECXJPSSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-10-8-11(16)2-5-15(10)22(20,21)19-12-3-4-13-14(9-12)18-7-6-17-13/h2-9,19H,1H3.
What are the key properties of 4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide?
4-fluoro-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.88, 3 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-ylbenzenesulfonamide is sourced from PubChem (CID 110723750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).