2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C20H22Cl2N2O5S — CID 4779883

IUPAC2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-28-18-7-3-2-5-13(18)11-24-30(26,27)19-9-15(16(21)10-17(19)22)20(25)23-12-14-6-4-8-29-14/h2-3,5,7,9-10,14,24H,4,6,8,11-12H2,1H3,(H,23,25)
InChIKeyHBIDNHBZIKHADY-UHFFFAOYSA-N
MW473.38 g/mol
LogP3.39
Rot. Bonds8

About 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 4779883) has the molecular formula C20H22Cl2N2O5S and a molecular weight of 473.38 g/mol. Its IUPAC name is 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID4779883
Molecular FormulaC20H22Cl2N2O5S
Molecular Weight473.38 g/mol
Exact Mass472.06
IUPAC Name2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5S/c1-28-18-7-3-2-5-13(18)11-24-30(26,27)19-9-15(16(21)10-17(19)22)20(25)23-12-14-6-4-8-29-14/h2-3,5,7,9-10,14,24H,4,6,8,11-12H2,1H3,(H,23,25)
InChIKeyHBIDNHBZIKHADY-UHFFFAOYSA-N
XLogP3.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 4779883) is 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCC2CCCO2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is HBIDNHBZIKHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5S/c1-28-18-7-3-2-5-13(18)11-24-30(26,27)19-9-15(16(21)10-17(19)22)20(25)23-12-14-6-4-8-29-14/h2-3,5,7,9-10,14,24H,4,6,8,11-12H2,1H3,(H,23,25).
What are the key properties of 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 473.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(2-methoxyphenyl)methylsulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 4779883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).