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

C19H14Cl2FNO4S — CID 146545851

IUPAC3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H14Cl2FNO4S/c1-27-17-7-4-12(11-2-5-14(22)6-3-11)8-16(17)23-28(25,26)18-10-13(20)9-15(21)19(18)24/h2-10,23-24H,1H3
InChIKeyJXBDQVKVUOMWGI-UHFFFAOYSA-N
MW442.30 g/mol
LogP5.31
Rot. Bonds5

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

3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide (PubChem CID 146545851) has the molecular formula C19H14Cl2FNO4S and a molecular weight of 442.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide
PubChem CID146545851
Molecular FormulaC19H14Cl2FNO4S
Molecular Weight442.30 g/mol
Exact Mass441.00
IUPAC Name3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide
SMILESCOc1ccc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H14Cl2FNO4S/c1-27-17-7-4-12(11-2-5-14(22)6-3-11)8-16(17)23-28(25,26)18-10-13(20)9-15(21)19(18)24/h2-10,23-24H,1H3
InChIKeyJXBDQVKVUOMWGI-UHFFFAOYSA-N
XLogP5.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.30
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide (CID 146545851) is 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide is COc1ccc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide?
The InChIKey is JXBDQVKVUOMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO4S/c1-27-17-7-4-12(11-2-5-14(22)6-3-11)8-16(17)23-28(25,26)18-10-13(20)9-15(21)19(18)24/h2-10,23-24H,1H3.
What are the key properties of 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide has a molecular weight of 442.30 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).