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

C16H17Cl2NO5S — CID 166396048

IUPAC3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2O)OC)cc1
InChIInChI=1S/C16H17Cl2NO5S/c1-23-12-5-3-10(4-6-12)14(24-2)9-19-25(21,22)15-8-11(17)7-13(18)16(15)20/h3-8,14,19-20H,9H2,1-2H3
InChIKeyMBXFGDIZBYHARW-UHFFFAOYSA-N
MW406.29 g/mol
LogP3.37
Rot. Bonds7

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

3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 166396048) has the molecular formula C16H17Cl2NO5S and a molecular weight of 406.29 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID166396048
Molecular FormulaC16H17Cl2NO5S
Molecular Weight406.29 g/mol
Exact Mass405.02
IUPAC Name3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2O)OC)cc1
InChIInChI=1S/C16H17Cl2NO5S/c1-23-12-5-3-10(4-6-12)14(24-2)9-19-25(21,22)15-8-11(17)7-13(18)16(15)20/h3-8,14,19-20H,9H2,1-2H3
InChIKeyMBXFGDIZBYHARW-UHFFFAOYSA-N
XLogP3.37
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 53.37
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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Related Compounds

N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
CID 90623112
2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
3,5-dichloro-N-[(4-chlorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227266
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
2,4-dichloro-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367252
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
2,3-dichloro-N-[(2R)-2-methoxy-2-phenylethyl]-5-nitrobenzenesulfonamide
CID 100763252
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
CID 14536982
5-chloro-2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598909
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 166396048) is 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2O)OC)cc1.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is MBXFGDIZBYHARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO5S/c1-23-12-5-3-10(4-6-12)14(24-2)9-19-25(21,22)15-8-11(17)7-13(18)16(15)20/h3-8,14,19-20H,9H2,1-2H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 406.29 g/mol, XLogP of 3.37, 7 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-2-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 166396048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).