N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide

C11H16F2N2O2S — CID 106074571

IUPACN-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-8-4-5-9(12)11(10(8)13)15-18(16,17)7-3-6-14-2/h4-5,14-15H,3,6-7H2,1-2H3
InChIKeyJGRQEWXGZOYAEB-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.62
Rot. Bonds6

About N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide

N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 106074571) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID106074571
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C11H16F2N2O2S/c1-8-4-5-9(12)11(10(8)13)15-18(16,17)7-3-6-14-2/h4-5,14-15H,3,6-7H2,1-2H3
InChIKeyJGRQEWXGZOYAEB-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.62
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-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(4-chlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106060812
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
CID 82799003
N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide (CID 106074571) is N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1c(F)ccc(C)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is JGRQEWXGZOYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-8-4-5-9(12)11(10(8)13)15-18(16,17)7-3-6-14-2/h4-5,14-15H,3,6-7H2,1-2H3.
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide?
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106074571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).