N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide

C12H19FN2O2S — CID 106083706

IUPACN-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C12H19FN2O2S/c1-10-6-5-7-11(13)12(10)15-18(16,17)9-4-3-8-14-2/h5-7,14-15H,3-4,8-9H2,1-2H3
InChIKeyGSQNXYMGILFCKQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds7

About N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide

N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106083706) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106083706
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(C)cccc1F
InChIInChI=1S/C12H19FN2O2S/c1-10-6-5-7-11(13)12(10)15-18(16,17)9-4-3-8-14-2/h5-7,14-15H,3-4,8-9H2,1-2H3
InChIKeyGSQNXYMGILFCKQ-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
N-(2-chloro-6-methylphenyl)-2-(methylamino)ethanesulfonamide
CID 66256869
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
N-(ethylsulfonimidoyl)-2-fluoro-6-methylaniline
CID 164657353
N-(2-bromo-4,6-dimethylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106072928
N-(2-bromo-6-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107601145

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide (CID 106083706) is N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1c(C)cccc1F.
What is the InChIKey of N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is GSQNXYMGILFCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-10-6-5-7-11(13)12(10)15-18(16,17)9-4-3-8-14-2/h5-7,14-15H,3-4,8-9H2,1-2H3.
What are the key properties of N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide?
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106083706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).