4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide

C11H15F3N2O2S — CID 106069515

IUPAC4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-15-4-2-3-5-19(17,18)16-11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeyZCSGMQGQWJVNAN-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.85
Rot. Bonds7

About 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide

4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide (PubChem CID 106069515) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
PubChem CID106069515
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C11H15F3N2O2S/c1-15-4-2-3-5-19(17,18)16-11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,2-5H2,1H3
InChIKeyZCSGMQGQWJVNAN-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.85
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

N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
4-amino-N-(2-chloro-4,6-difluorophenyl)butane-1-sulfonamide
CID 114141795
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
4-(propylamino)-N-(2,3,5-trifluorophenyl)butane-1-sulfonamide
CID 106056266

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide (CID 106069515) is 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
The InChIKey is ZCSGMQGQWJVNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-15-4-2-3-5-19(17,18)16-11-9(13)6-8(12)7-10(11)14/h6-7,15-16H,2-5H2,1H3.
What are the key properties of 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide?
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide has a molecular weight of 296.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106069515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).