2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide

C15H12ClNO3S — CID 11580592

IUPAC2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1cc(Cl)c2oc3ccccc3c2c1
InChIInChI=1S/C15H12ClNO3S/c16-12-6-9(7-21(19)8-14(17)18)5-11-10-3-1-2-4-13(10)20-15(11)12/h1-6H,7-8H2,(H2,17,18)
InChIKeyZWAYGRAWOAZZCG-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.97
Rot. Bonds4

About 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide

2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide (PubChem CID 11580592) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide
PubChem CID11580592
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC Name2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide
SMILESNC(=O)CS(=O)Cc1cc(Cl)c2oc3ccccc3c2c1
InChIInChI=1S/C15H12ClNO3S/c16-12-6-9(7-21(19)8-14(17)18)5-11-10-3-1-2-4-13(10)20-15(11)12/h1-6H,7-8H2,(H2,17,18)
InChIKeyZWAYGRAWOAZZCG-UHFFFAOYSA-N
XLogP2.97
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-dibenzofuran-2-ylmethylsulfinyl]acetamide
CID 129383109
4-chlorodibenzofuran-2-ol
CID 170647423
2-[(R)-(4-phenylphenyl)methylsulfinyl]acetamide
CID 129364182
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
1-(4-acetylpiperazin-1-yl)-2-(4-chlorodibenzofuran-2-yl)sulfanylethanone
CID 11589465
(3-chloro-1-benzofuran-2-yl)methanamine
CID 83817093
2-[[3-(2-fluorophenyl)phenyl]methylsulfinyl]acetamide
CID 86077591
2,4-dichloroxanthene-9-thione
CID 57256472
dibenzofuran;hydrofluoride
CID 158307405
2-[(S)-(4-thiophen-2-ylphenyl)methylsulfinyl]acetamide
CID 129411324
1-(1-benzofuran-2-yl)-2-ethylsulfinylethanone
CID 64639066
3-dibenzofuran-2-ylpropanoic acid
CID 2728916

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide?
The IUPAC name of 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide (CID 11580592) is 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide.
What is the SMILES notation for 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide?
The canonical SMILES for 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide is NC(=O)CS(=O)Cc1cc(Cl)c2oc3ccccc3c2c1.
What is the InChIKey of 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide?
The InChIKey is ZWAYGRAWOAZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c16-12-6-9(7-21(19)8-14(17)18)5-11-10-3-1-2-4-13(10)20-15(11)12/h1-6H,7-8H2,(H2,17,18).
What are the key properties of 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide?
2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide has a molecular weight of 321.79 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorodibenzofuran-2-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 11580592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).