2-[bis(4-bromophenyl)methylsulfinyl]acetamide

C15H13Br2NO2S — CID 53326639

IUPAC2-[bis(4-bromophenyl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKeySPLGURPNEXDJQD-UHFFFAOYSA-N
MW431.15 g/mol
LogP3.54
Rot. Bonds5

About 2-[bis(4-bromophenyl)methylsulfinyl]acetamide

2-[bis(4-bromophenyl)methylsulfinyl]acetamide (PubChem CID 53326639) has the molecular formula C15H13Br2NO2S and a molecular weight of 431.15 g/mol. Its IUPAC name is 2-[bis(4-bromophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[bis(4-bromophenyl)methylsulfinyl]acetamide
PubChem CID53326639
Molecular FormulaC15H13Br2NO2S
Molecular Weight431.15 g/mol
Exact Mass428.90
IUPAC Name2-[bis(4-bromophenyl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19)
InChIKeySPLGURPNEXDJQD-UHFFFAOYSA-N
XLogP3.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-bromophenyl)methylsulfinyl]acetamide?
The IUPAC name of 2-[bis(4-bromophenyl)methylsulfinyl]acetamide (CID 53326639) is 2-[bis(4-bromophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[bis(4-bromophenyl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[bis(4-bromophenyl)methylsulfinyl]acetamide is NC(=O)CS(=O)C(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-[bis(4-bromophenyl)methylsulfinyl]acetamide?
The InChIKey is SPLGURPNEXDJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2S/c16-12-5-1-10(2-6-12)15(21(20)9-14(18)19)11-3-7-13(17)8-4-11/h1-8,15H,9H2,(H2,18,19).
What are the key properties of 2-[bis(4-bromophenyl)methylsulfinyl]acetamide?
2-[bis(4-bromophenyl)methylsulfinyl]acetamide has a molecular weight of 431.15 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-bromophenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 53326639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).