2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide

C11H14Cl2FNO3S — CID 103088655

IUPAC2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H14Cl2FNO3S/c1-6(5-7(2)16)15-19(17,18)9-4-3-8(12)11(14)10(9)13/h3-4,6-7,15-16H,5H2,1-2H3
InChIKeyWLSHHPMMKGOHKJ-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.57
Rot. Bonds5

About 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide (PubChem CID 103088655) has the molecular formula C11H14Cl2FNO3S and a molecular weight of 330.21 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
PubChem CID103088655
Molecular FormulaC11H14Cl2FNO3S
Molecular Weight330.21 g/mol
Exact Mass329.01
IUPAC Name2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide
SMILESCC(O)CC(C)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C11H14Cl2FNO3S/c1-6(5-7(2)16)15-19(17,18)9-4-3-8(12)11(14)10(9)13/h3-4,6-7,15-16H,5H2,1-2H3
InChIKeyWLSHHPMMKGOHKJ-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide (CID 103088655) is 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide is CC(O)CC(C)NS(=O)(=O)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
The InChIKey is WLSHHPMMKGOHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FNO3S/c1-6(5-7(2)16)15-19(17,18)9-4-3-8(12)11(14)10(9)13/h3-4,6-7,15-16H,5H2,1-2H3.
What are the key properties of 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(4-hydroxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 103088655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).