2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide

C16H15Cl2NO4S — CID 1489671

IUPAC2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)c(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-3-24(21,22)13-9-8-10(14(17)15(13)18)16(20)19-11-6-4-5-7-12(11)23-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyVZJHWHBJKHKLRB-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.05
Rot. Bonds5

About 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide

2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide (PubChem CID 1489671) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide
PubChem CID1489671
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)c(Cl)c1Cl
InChIInChI=1S/C16H15Cl2NO4S/c1-3-24(21,22)13-9-8-10(14(17)15(13)18)16(20)19-11-6-4-5-7-12(11)23-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyVZJHWHBJKHKLRB-UHFFFAOYSA-N
XLogP4.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide (CID 1489671) is 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2OC)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide?
The InChIKey is VZJHWHBJKHKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-3-24(21,22)13-9-8-10(14(17)15(13)18)16(20)19-11-6-4-5-7-12(11)23-2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide?
2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide has a molecular weight of 388.27 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-ethylsulfonyl-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 1489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).