2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide

C11H14BrF2NO3S — CID 106125988

IUPAC2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2NO3S/c1-7(16)3-2-4-15-19(17,18)11-9(12)5-8(13)6-10(11)14/h5-7,15-16H,2-4H2,1H3
InChIKeyPREORVUKTUWXKS-UHFFFAOYSA-N
MW358.20 g/mol
LogP2.17
Rot. Bonds6

About 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide

2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide (PubChem CID 106125988) has the molecular formula C11H14BrF2NO3S and a molecular weight of 358.20 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
PubChem CID106125988
Molecular FormulaC11H14BrF2NO3S
Molecular Weight358.20 g/mol
Exact Mass356.98
IUPAC Name2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
SMILESCC(O)CCCNS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C11H14BrF2NO3S/c1-7(16)3-2-4-15-19(17,18)11-9(12)5-8(13)6-10(11)14/h5-7,15-16H,2-4H2,1H3
InChIKeyPREORVUKTUWXKS-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 52.17
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

2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
N-(4-bromopentyl)-2,4,6-trifluorobenzenesulfonamide
CID 114148263
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
2-bromo-4,6-difluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466867
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-bromo-N-[2-(dimethylamino)-3-methylbutyl]-4,6-difluorobenzenesulfonamide
CID 60716587
2-bromo-4,6-difluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83040032
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide (CID 106125988) is 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide is CC(O)CCCNS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
The InChIKey is PREORVUKTUWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO3S/c1-7(16)3-2-4-15-19(17,18)11-9(12)5-8(13)6-10(11)14/h5-7,15-16H,2-4H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide?
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide has a molecular weight of 358.20 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide is sourced from PubChem (CID 106125988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).