N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide

C10H12BrF2NO3S — CID 114135993

IUPACN-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(CCCCO)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C10H12BrF2NO3S/c11-7-5-9(13)10(6-8(7)12)14-18(16,17)4-2-1-3-15/h5-6,14-15H,1-4H2
InChIKeyZEDPOCCQKYXNGV-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.24
Rot. Bonds6

About N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide

N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide (PubChem CID 114135993) has the molecular formula C10H12BrF2NO3S and a molecular weight of 344.18 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide
PubChem CID114135993
Molecular FormulaC10H12BrF2NO3S
Molecular Weight344.18 g/mol
Exact Mass342.97
IUPAC NameN-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(CCCCO)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C10H12BrF2NO3S/c11-7-5-9(13)10(6-8(7)12)14-18(16,17)4-2-1-3-15/h5-6,14-15H,1-4H2
InChIKeyZEDPOCCQKYXNGV-UHFFFAOYSA-N
XLogP2.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-3-methylbutane-1-sulfonamide
CID 103844052
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
4-hydroxy-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 114134333
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
N-(5-bromo-4-fluoro-2-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106087809
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659
N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
CID 114133599
N-(2,5-difluorophenyl)-2-hydroxyethanesulfonamide
CID 79026481
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
4-[(5-bromo-2-fluorophenyl)sulfamoyl]butanoic acid
CID 43555610
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
4-bromo-2,5-difluoro-N-(2-methylsulfonylethyl)aniline
CID 107611077

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide (CID 114135993) is N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide is O=S(=O)(CCCCO)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide?
The InChIKey is ZEDPOCCQKYXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO3S/c11-7-5-9(13)10(6-8(7)12)14-18(16,17)4-2-1-3-15/h5-6,14-15H,1-4H2.
What are the key properties of N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide?
N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide has a molecular weight of 344.18 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 114135993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).