3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide

C16H14Cl2FNO3S — CID 146601188

IUPAC3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1CC(c2ccc(F)cc2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2FNO3S/c17-11-7-14(18)16(21)15(8-11)24(22,23)20-13-5-10(6-13)9-1-3-12(19)4-2-9/h1-4,7-8,10,13,20-21H,5-6H2
InChIKeyCJKUGSJJVKOTBP-UHFFFAOYSA-N
MW390.26 g/mol
LogP4.06
Rot. Bonds4

About 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide (PubChem CID 146601188) has the molecular formula C16H14Cl2FNO3S and a molecular weight of 390.26 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide
PubChem CID146601188
Molecular FormulaC16H14Cl2FNO3S
Molecular Weight390.26 g/mol
Exact Mass389.01
IUPAC Name3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC1CC(c2ccc(F)cc2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H14Cl2FNO3S/c17-11-7-14(18)16(21)15(8-11)24(22,23)20-13-5-10(6-13)9-1-3-12(19)4-2-9/h1-4,7-8,10,13,20-21H,5-6H2
InChIKeyCJKUGSJJVKOTBP-UHFFFAOYSA-N
XLogP4.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide (CID 146601188) is 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide is O=S(=O)(NC1CC(c2ccc(F)cc2)C1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide?
The InChIKey is CJKUGSJJVKOTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO3S/c17-11-7-14(18)16(21)15(8-11)24(22,23)20-13-5-10(6-13)9-1-3-12(19)4-2-9/h1-4,7-8,10,13,20-21H,5-6H2.
What are the key properties of 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide has a molecular weight of 390.26 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146601188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).