2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide

C12H17ClFNO3S — CID 115701461

IUPAC2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
SMILESCCC(CCO)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO3S/c1-2-9(5-6-16)8-15-19(17,18)12-7-10(14)3-4-11(12)13/h3-4,7,9,15-16H,2,5-6,8H2,1H3
InChIKeyKCLBACAOPJSJCN-UHFFFAOYSA-N
MW309.79 g/mol
LogP2.17
Rot. Bonds7

About 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide

2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide (PubChem CID 115701461) has the molecular formula C12H17ClFNO3S and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
PubChem CID115701461
Molecular FormulaC12H17ClFNO3S
Molecular Weight309.79 g/mol
Exact Mass309.06
IUPAC Name2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
SMILESCCC(CCO)CNS(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C12H17ClFNO3S/c1-2-9(5-6-16)8-15-19(17,18)12-7-10(14)3-4-11(12)13/h3-4,7,9,15-16H,2,5-6,8H2,1H3
InChIKeyKCLBACAOPJSJCN-UHFFFAOYSA-N
XLogP2.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chloro-2-ethylbutyl)-5-fluorobenzenesulfonamide
CID 105400660
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
methyl 2-(2-ethylbutylsulfamoyl)-4-fluorobenzoate
CID 103833610
N-(2-bromoprop-2-enyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400004
1-(3-chloro-4-fluorophenyl)-N-(2-ethyl-4-hydroxybutyl)methanesulfonamide
CID 109478315
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide (CID 115701461) is 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide is CCC(CCO)CNS(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide?
The InChIKey is KCLBACAOPJSJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO3S/c1-2-9(5-6-16)8-15-19(17,18)12-7-10(14)3-4-11(12)13/h3-4,7,9,15-16H,2,5-6,8H2,1H3.
What are the key properties of 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide?
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide has a molecular weight of 309.79 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 115701461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).