3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide

C17H13Cl2NO4S2 — CID 146545745

IUPAC3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cccs2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H13Cl2NO4S2/c1-24-14-5-4-10(15-3-2-6-25-15)7-13(14)20-26(22,23)16-9-11(18)8-12(19)17(16)21/h2-9,20-21H,1H3
InChIKeyRLEWUZWIHHIYBP-UHFFFAOYSA-N
MW430.33 g/mol
LogP5.24
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide

3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide (PubChem CID 146545745) has the molecular formula C17H13Cl2NO4S2 and a molecular weight of 430.33 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide
PubChem CID146545745
Molecular FormulaC17H13Cl2NO4S2
Molecular Weight430.33 g/mol
Exact Mass428.97
IUPAC Name3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2cccs2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C17H13Cl2NO4S2/c1-24-14-5-4-10(15-3-2-6-25-15)7-13(14)20-26(22,23)16-9-11(18)8-12(19)17(16)21/h2-9,20-21H,1H3
InChIKeyRLEWUZWIHHIYBP-UHFFFAOYSA-N
XLogP5.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.33
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide (CID 146545745) is 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide is COc1ccc(-c2cccs2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide?
The InChIKey is RLEWUZWIHHIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO4S2/c1-24-14-5-4-10(15-3-2-6-25-15)7-13(14)20-26(22,23)16-9-11(18)8-12(19)17(16)21/h2-9,20-21H,1H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide has a molecular weight of 430.33 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).