N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide

C11H6BrCl2NO3S2 — CID 10160238

IUPACN-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
InChIKeyWWONFUQGBVOKOF-UHFFFAOYSA-N
MW415.12 g/mol
LogP3.94
Rot. Bonds3

About N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide

N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide (PubChem CID 10160238) has the molecular formula C11H6BrCl2NO3S2 and a molecular weight of 415.12 g/mol. Its IUPAC name is N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide
PubChem CID10160238
Molecular FormulaC11H6BrCl2NO3S2
Molecular Weight415.12 g/mol
Exact Mass412.83
IUPAC NameN-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
InChIKeyWWONFUQGBVOKOF-UHFFFAOYSA-N
XLogP3.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.12
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide?
The IUPAC name of N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide (CID 10160238) is N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide.
What is the SMILES notation for N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide?
The canonical SMILES for N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide is O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide?
The InChIKey is WWONFUQGBVOKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16).
What are the key properties of N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide?
N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide has a molecular weight of 415.12 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromothiophen-2-yl)sulfonyl-2,4-dichlorobenzamide is sourced from PubChem (CID 10160238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).