N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

C10H10ClNO2S — CID 2831161

IUPACN-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C10H10ClNO2S/c11-8-1-3-9(4-2-8)12-10-5-6-15(13,14)7-10/h1-6,10,12H,7H2
InChIKeyFOLIKWVLWUMOBL-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.06
Rot. Bonds2

About N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine

N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 2831161) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID2831161
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC NameN-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C10H10ClNO2S/c11-8-1-3-9(4-2-8)12-10-5-6-15(13,14)7-10/h1-6,10,12H,7H2
InChIKeyFOLIKWVLWUMOBL-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 2831161) is N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is FOLIKWVLWUMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-8-1-3-9(4-2-8)12-10-5-6-15(13,14)7-10/h1-6,10,12H,7H2.
What are the key properties of N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has a molecular weight of 243.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 2831161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).