2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide

C12H9BrClNO3S2 — CID 47108955

IUPAC2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H9BrClNO3S2/c13-9-3-1-8(2-4-9)7-11(16)15-20(17,18)12-6-5-10(14)19-12/h1-6H,7H2,(H,15,16)
InChIKeyGSOQGFXTEOSCOL-UHFFFAOYSA-N
MW394.70 g/mol
LogP3.21
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide

2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide (PubChem CID 47108955) has the molecular formula C12H9BrClNO3S2 and a molecular weight of 394.70 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
PubChem CID47108955
Molecular FormulaC12H9BrClNO3S2
Molecular Weight394.70 g/mol
Exact Mass392.89
IUPAC Name2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H9BrClNO3S2/c13-9-3-1-8(2-4-9)7-11(16)15-20(17,18)12-6-5-10(14)19-12/h1-6H,7H2,(H,15,16)
InChIKeyGSOQGFXTEOSCOL-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide (CID 47108955) is 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide is O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide?
The InChIKey is GSOQGFXTEOSCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3S2/c13-9-3-1-8(2-4-9)7-11(16)15-20(17,18)12-6-5-10(14)19-12/h1-6H,7H2,(H,15,16).
What are the key properties of 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide?
2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide has a molecular weight of 394.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-chlorothiophen-2-yl)sulfonylacetamide is sourced from PubChem (CID 47108955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).