2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide

C12H10BrNO3S2 — CID 47268843

IUPAC2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H10BrNO3S2/c13-10-5-3-9(4-6-10)8-11(15)14-19(16,17)12-2-1-7-18-12/h1-7H,8H2,(H,14,15)
InChIKeyTVFKBCDWGIFFEY-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide

2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide (PubChem CID 47268843) has the molecular formula C12H10BrNO3S2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
PubChem CID47268843
Molecular FormulaC12H10BrNO3S2
Molecular Weight360.25 g/mol
Exact Mass358.93
IUPAC Name2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
SMILESO=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H10BrNO3S2/c13-10-5-3-9(4-6-10)8-11(15)14-19(16,17)12-2-1-7-18-12/h1-7H,8H2,(H,14,15)
InChIKeyTVFKBCDWGIFFEY-UHFFFAOYSA-N
XLogP2.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.56
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-thiophen-2-ylsulfonylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide (CID 47268843) is 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide is O=C(Cc1ccc(Br)cc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide?
The InChIKey is TVFKBCDWGIFFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3S2/c13-10-5-3-9(4-6-10)8-11(15)14-19(16,17)12-2-1-7-18-12/h1-7H,8H2,(H,14,15).
What are the key properties of 2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide?
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide has a molecular weight of 360.25 g/mol, XLogP of 2.56, 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-thiophen-2-ylsulfonylacetamide is sourced from PubChem (CID 47268843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).