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

C10H10ClNO2S — CID 4749657

IUPACN-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2ccccc2Cl)C1
InChIInChI=1S/C10H10ClNO2S/c11-9-3-1-2-4-10(9)12-8-5-6-15(13,14)7-8/h1-6,8,12H,7H2
InChIKeyJBHROEWOHMPKAT-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.06
Rot. Bonds2

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

N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (PubChem CID 4749657) has the molecular formula C10H10ClNO2S and a molecular weight of 243.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
PubChem CID4749657
Molecular FormulaC10H10ClNO2S
Molecular Weight243.72 g/mol
Exact Mass243.01
IUPAC NameN-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
SMILESO=S1(=O)C=CC(Nc2ccccc2Cl)C1
InChIInChI=1S/C10H10ClNO2S/c11-9-3-1-2-4-10(9)12-8-5-6-15(13,14)7-8/h1-6,8,12H,7H2
InChIKeyJBHROEWOHMPKAT-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-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CID 4749657) is N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is O=S1(=O)C=CC(Nc2ccccc2Cl)C1.
What is the InChIKey of N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The InChIKey is JBHROEWOHMPKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2S/c11-9-3-1-2-4-10(9)12-8-5-6-15(13,14)7-8/h1-6,8,12H,7H2.
What are the key properties of N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
N-(2-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-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 4749657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).