5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine

C10H8ClNO2S — CID 117222734

IUPAC5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine
SMILESNC1=CC=C(c2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C10H8ClNO2S/c11-8-3-1-2-7(6-8)9-4-5-10(12)15(9,13)14/h1-6H,12H2
InChIKeyGGRDUCJFTHRTFM-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.91
Rot. Bonds1

About 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine

5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine (PubChem CID 117222734) has the molecular formula C10H8ClNO2S and a molecular weight of 241.70 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine
PubChem CID117222734
Molecular FormulaC10H8ClNO2S
Molecular Weight241.70 g/mol
Exact Mass241.00
IUPAC Name5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine
SMILESNC1=CC=C(c2cccc(Cl)c2)S1(=O)=O
InChIInChI=1S/C10H8ClNO2S/c11-8-3-1-2-7(6-8)9-4-5-10(12)15(9,13)14/h1-6H,12H2
InChIKeyGGRDUCJFTHRTFM-UHFFFAOYSA-N
XLogP1.91
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine (CID 117222734) is 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine is NC1=CC=C(c2cccc(Cl)c2)S1(=O)=O.
What is the InChIKey of 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine?
The InChIKey is GGRDUCJFTHRTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S/c11-8-3-1-2-7(6-8)9-4-5-10(12)15(9,13)14/h1-6H,12H2.
What are the key properties of 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine?
5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine has a molecular weight of 241.70 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,1-dioxothiophen-2-amine is sourced from PubChem (CID 117222734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).