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

C20H17Cl2NO5S — CID 146545820

IUPAC3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccc(OC)c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)c2)cc1
InChIInChI=1S/C20H17Cl2NO5S/c1-27-15-6-3-12(4-7-15)13-5-8-18(28-2)17(9-13)23-29(25,26)19-11-14(21)10-16(22)20(19)24/h3-11,23-24H,1-2H3
InChIKeyYENBDPLSUACPNX-UHFFFAOYSA-N
MW454.33 g/mol
LogP5.18
Rot. Bonds6

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

3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide (PubChem CID 146545820) has the molecular formula C20H17Cl2NO5S and a molecular weight of 454.33 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide
PubChem CID146545820
Molecular FormulaC20H17Cl2NO5S
Molecular Weight454.33 g/mol
Exact Mass453.02
IUPAC Name3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(-c2ccc(OC)c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)c2)cc1
InChIInChI=1S/C20H17Cl2NO5S/c1-27-15-6-3-12(4-7-15)13-5-8-18(28-2)17(9-13)23-29(25,26)19-11-14(21)10-16(22)20(19)24/h3-11,23-24H,1-2H3
InChIKeyYENBDPLSUACPNX-UHFFFAOYSA-N
XLogP5.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 55.18
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-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide (CID 146545820) is 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide is COc1ccc(-c2ccc(OC)c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)c2)cc1.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide?
The InChIKey is YENBDPLSUACPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO5S/c1-27-15-6-3-12(4-7-15)13-5-8-18(28-2)17(9-13)23-29(25,26)19-11-14(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-(4-methoxyphenyl)phenyl]benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-[2-methoxy-5-(4-methoxyphenyl)phenyl]benzenesulfonamide has a molecular weight of 454.33 g/mol, XLogP of 5.18, 6 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-(4-methoxyphenyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 146545820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).