3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide

C19H15Cl2NO4S — CID 155568772

IUPAC3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C19H15Cl2NO4S/c1-26-14-8-6-12(7-9-14)15-4-2-3-5-17(15)22-27(24,25)18-11-13(20)10-16(21)19(18)23/h2-11,22-23H,1H3
InChIKeyRDPMTBYUQPFCPX-UHFFFAOYSA-N
MW424.31 g/mol
LogP5.18
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide

3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 155568772) has the molecular formula C19H15Cl2NO4S and a molecular weight of 424.31 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID155568772
Molecular FormulaC19H15Cl2NO4S
Molecular Weight424.31 g/mol
Exact Mass423.01
IUPAC Name3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1
InChIInChI=1S/C19H15Cl2NO4S/c1-26-14-8-6-12(7-9-14)15-4-2-3-5-17(15)22-27(24,25)18-11-13(20)10-16(21)19(18)23/h2-11,22-23H,1H3
InChIKeyRDPMTBYUQPFCPX-UHFFFAOYSA-N
XLogP5.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.31
LogP ≤ 55.18
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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Related Compounds

3,5-dichloro-2-hydroxy-N-(4-methoxy-[1,1'-biphenyl]-3-yl)benzenesulfonamide
CID 16747776
3,5-dichloro-N-(2,5-di-tert-butylphenyl)-2-hydroxybenzenesulfonamide
CID 44442239
3,5-dichloro-N-(4-hexylphenyl)-2-hydroxybenzenesulfonamide
CID 44442284
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3,5-dichloro-N-[5-(4-fluorophenyl)-2-methoxyphenyl]-2-hydroxybenzenesulfonamide
CID 146545851
3,5-dichloro-2-hydroxy-N-[5-phenyl-2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 146545914
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545977
3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545773
2-[2-[(3,5-Dichloro-2-hydroxyphenyl)sulfonylamino]-4-phenylphenoxy]acetic acid
CID 146545909
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide
CID 146545932
3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545761
3,5-dichloro-2-methoxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545958

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide (CID 155568772) is 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is RDPMTBYUQPFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S/c1-26-14-8-6-12(7-9-14)15-4-2-3-5-17(15)22-27(24,25)18-11-13(20)10-16(21)19(18)23/h2-11,22-23H,1H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 424.31 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 155568772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).