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

C11H15BrF2N2O2S — CID 106066644

IUPACN-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H15BrF2N2O2S/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
InChIKeyFFWANSHJOITUTN-UHFFFAOYSA-N
MW357.22 g/mol
LogP2.47
Rot. Bonds7

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

N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide (PubChem CID 106066644) has the molecular formula C11H15BrF2N2O2S and a molecular weight of 357.22 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
PubChem CID106066644
Molecular FormulaC11H15BrF2N2O2S
Molecular Weight357.22 g/mol
Exact Mass356.00
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C11H15BrF2N2O2S/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
InChIKeyFFWANSHJOITUTN-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
5-bromo-1,3-difluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106066650
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2-bromo-4,6-dimethylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106072928
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
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
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
N-(3,5-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114141118

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide (CID 106066644) is N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide?
The InChIKey is FFWANSHJOITUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF2N2O2S/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 N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide?
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide has a molecular weight of 357.22 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106066644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).