N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide

C10H12BrF2NO2S — CID 106441786

IUPACN-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H12BrF2NO2S/c1-14(6-2-5-11)17(15,16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyVVQILSOMIWYMHG-UHFFFAOYSA-N
MW328.18 g/mol
LogP2.37
Rot. Bonds5

About N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide

N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 106441786) has the molecular formula C10H12BrF2NO2S and a molecular weight of 328.18 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID106441786
Molecular FormulaC10H12BrF2NO2S
Molecular Weight328.18 g/mol
Exact Mass326.97
IUPAC NameN-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H12BrF2NO2S/c1-14(6-2-5-11)17(15,16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3
InChIKeyVVQILSOMIWYMHG-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide 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

2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
N-(5-bromopentyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 107206320
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
1-(4-bromobutylsulfonyl)-2,4-difluorobenzene
CID 43167546
N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 80667040
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 79187004

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide (CID 106441786) is N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide is CN(CCCBr)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is VVQILSOMIWYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO2S/c1-14(6-2-5-11)17(15,16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6H2,1H3.
What are the key properties of N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide?
N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 328.18 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 106441786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).