N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide

C11H14BrF2NO3S — CID 114151665

IUPACN-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
SMILESCOCC(CCBr)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14BrF2NO3S/c1-18-7-9(4-5-12)15-19(16,17)11-6-8(13)2-3-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyONTAEGUOEOHXPB-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.04
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide

N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 114151665) has the molecular formula C11H14BrF2NO3S and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
PubChem CID114151665
Molecular FormulaC11H14BrF2NO3S
Molecular Weight358.20 g/mol
Exact Mass356.98
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
SMILESCOCC(CCBr)NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14BrF2NO3S/c1-18-7-9(4-5-12)15-19(16,17)11-6-8(13)2-3-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3
InChIKeyONTAEGUOEOHXPB-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide 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

N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998
N-(4-bromo-1-methoxybutan-2-yl)-3,4-dichlorobenzenesulfonamide
CID 114151678
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 103887495
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 106156181
4-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 106184824
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2,5-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzenesulfonamide
CID 71911251

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide (CID 114151665) is N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide is COCC(CCBr)NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is ONTAEGUOEOHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO3S/c1-18-7-9(4-5-12)15-19(16,17)11-6-8(13)2-3-10(11)14/h2-3,6,9,15H,4-5,7H2,1H3.
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide?
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 358.20 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 114151665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).