5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide

C10H14BrFN2O3S — CID 106840238

IUPAC5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCCO)c(Br)cc1F
InChIInChI=1S/C10H14BrFN2O3S/c11-7-5-8(12)9(13)6-10(7)18(16,17)14-3-1-2-4-15/h5-6,14-15H,1-4,13H2
InChIKeyFVQUPTPNPTWZAI-UHFFFAOYSA-N
MW341.20 g/mol
LogP1.22
Rot. Bonds6

About 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide

5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide (PubChem CID 106840238) has the molecular formula C10H14BrFN2O3S and a molecular weight of 341.20 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
PubChem CID106840238
Molecular FormulaC10H14BrFN2O3S
Molecular Weight341.20 g/mol
Exact Mass339.99
IUPAC Name5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCCCO)c(Br)cc1F
InChIInChI=1S/C10H14BrFN2O3S/c11-7-5-8(12)9(13)6-10(7)18(16,17)14-3-1-2-4-15/h5-6,14-15H,1-4,13H2
InChIKeyFVQUPTPNPTWZAI-UHFFFAOYSA-N
XLogP1.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
5-amino-2-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 106165837
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274915
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
3-[(5-amino-2-bromo-4-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 106095528
2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613
2-amino-5-bromo-4-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 106308718
5-amino-4-bromo-N-(2-bromoprop-2-enyl)-2-fluorobenzenesulfonamide
CID 116530612
5-amino-2-bromo-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 106099376
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-sulfonamide
CID 106843930
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide (CID 106840238) is 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCCCO)c(Br)cc1F.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide?
The InChIKey is FVQUPTPNPTWZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O3S/c11-7-5-8(12)9(13)6-10(7)18(16,17)14-3-1-2-4-15/h5-6,14-15H,1-4,13H2.
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide?
5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide has a molecular weight of 341.20 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(4-hydroxybutyl)benzenesulfonamide is sourced from PubChem (CID 106840238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).