N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide

C10H13ClFNO3S — CID 114133599

IUPACN-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(CCCCO)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO3S/c11-9-7-8(3-4-10(9)12)13-17(15,16)6-2-1-5-14/h3-4,7,13-14H,1-2,5-6H2
InChIKeyUJJURTPNKVSKCV-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.99
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide

N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide (PubChem CID 114133599) has the molecular formula C10H13ClFNO3S and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
PubChem CID114133599
Molecular FormulaC10H13ClFNO3S
Molecular Weight281.74 g/mol
Exact Mass281.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide
SMILESO=S(=O)(CCCCO)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO3S/c11-9-7-8(3-4-10(9)12)13-17(15,16)6-2-1-5-14/h3-4,7,13-14H,1-2,5-6H2
InChIKeyUJJURTPNKVSKCV-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.99
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

N-(3-chloro-4-fluorophenyl)sulfamoyl chloride
CID 84760554
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
4-chloro-N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
CID 116816251
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(3,4-dichlorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106059504
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94717956

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide (CID 114133599) is N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide is O=S(=O)(CCCCO)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide?
The InChIKey is UJJURTPNKVSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO3S/c11-9-7-8(3-4-10(9)12)13-17(15,16)6-2-1-5-14/h3-4,7,13-14H,1-2,5-6H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide?
N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide has a molecular weight of 281.74 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 114133599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).