3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide

C20H17Cl2NO4S — CID 146601013

IUPAC3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cccc(C)c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H17Cl2NO4S/c1-12-4-3-5-13(8-12)14-6-7-18(27-2)17(9-14)23-28(25,26)19-11-15(21)10-16(22)20(19)24/h3-11,23-24H,1-2H3
InChIKeyNPIKMLRSJMEHHP-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.48
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide

3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide (PubChem CID 146601013) has the molecular formula C20H17Cl2NO4S and a molecular weight of 438.33 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide
PubChem CID146601013
Molecular FormulaC20H17Cl2NO4S
Molecular Weight438.33 g/mol
Exact Mass437.03
IUPAC Name3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2cccc(C)c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C20H17Cl2NO4S/c1-12-4-3-5-13(8-12)14-6-7-18(27-2)17(9-14)23-28(25,26)19-11-15(21)10-16(22)20(19)24/h3-11,23-24H,1-2H3
InChIKeyNPIKMLRSJMEHHP-UHFFFAOYSA-N
XLogP5.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.48
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-[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-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545937
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-thiophen-2-ylphenyl)benzenesulfonamide
CID 146545745
3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545773
5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146545864
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-bromo-5-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
CID 146546028
3,5-dichloro-2-hydroxy-N-[2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 155568772
2-[3-Chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]phenyl]acetic acid
CID 146545758

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide (CID 146601013) is 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2cccc(C)c2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide?
The InChIKey is NPIKMLRSJMEHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S/c1-12-4-3-5-13(8-12)14-6-7-18(27-2)17(9-14)23-28(25,26)19-11-15(21)10-16(22)20(19)24/h3-11,23-24H,1-2H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide has a molecular weight of 438.33 g/mol, XLogP of 5.48, 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-methoxy-5-(3-methylphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 146601013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).