N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide

C15H9Cl2NO3S2 — CID 10068700

IUPACN-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO3S2/c16-10-5-6-11(12(17)8-10)15(19)18-23(20,21)14-7-9-3-1-2-4-13(9)22-14/h1-8H,(H,18,19)
InChIKeyKOXVJJRVNOHOTR-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.33
Rot. Bonds3

About N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide

N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide (PubChem CID 10068700) has the molecular formula C15H9Cl2NO3S2 and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide
PubChem CID10068700
Molecular FormulaC15H9Cl2NO3S2
Molecular Weight386.28 g/mol
Exact Mass384.94
IUPAC NameN-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO3S2/c16-10-5-6-11(12(17)8-10)15(19)18-23(20,21)14-7-9-3-1-2-4-13(9)22-14/h1-8H,(H,18,19)
InChIKeyKOXVJJRVNOHOTR-UHFFFAOYSA-N
XLogP4.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide (CID 10068700) is N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide is O=C(NS(=O)(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide?
The InChIKey is KOXVJJRVNOHOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3S2/c16-10-5-6-11(12(17)8-10)15(19)18-23(20,21)14-7-9-3-1-2-4-13(9)22-14/h1-8H,(H,18,19).
What are the key properties of N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide?
N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide has a molecular weight of 386.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 10068700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).