N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide

C11H14BrF2NO2S — CID 106135621

IUPACN-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
SMILESCC(Br)CCCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14BrF2NO2S/c1-8(12)3-2-6-15-18(16,17)11-7-9(13)4-5-10(11)14/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyUZWQYTXGBCKDBN-UHFFFAOYSA-N
MW342.21 g/mol
LogP2.81
Rot. Bonds6

About N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide

N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide (PubChem CID 106135621) has the molecular formula C11H14BrF2NO2S and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
PubChem CID106135621
Molecular FormulaC11H14BrF2NO2S
Molecular Weight342.21 g/mol
Exact Mass340.99
IUPAC NameN-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
SMILESCC(Br)CCCNS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H14BrF2NO2S/c1-8(12)3-2-6-15-18(16,17)11-7-9(13)4-5-10(11)14/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyUZWQYTXGBCKDBN-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
N-(4-bromopentyl)-2,4,6-trifluorobenzenesulfonamide
CID 114148263
N-(6-aminohexyl)-2,5-difluorobenzenesulfonamide
CID 107844397
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2,5-difluoro-N-pent-4-ynylbenzenesulfonamide
CID 103698123
2,5-difluoro-N-pent-3-ynylbenzenesulfonamide
CID 115977957
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
2,5-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 19680959
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide (CID 106135621) is N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide is CC(Br)CCCNS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is UZWQYTXGBCKDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO2S/c1-8(12)3-2-6-15-18(16,17)11-7-9(13)4-5-10(11)14/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide?
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 106135621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).