(3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide

C10H9ClO2S — CID 92983259

IUPAC(3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H9ClO2S/c11-10-3-1-8(2-4-10)9-5-6-14(12,13)7-9/h1-6,9H,7H2/t9-/m0/s1
InChIKeyBEFHDBJVWIYHON-VIFPVBQESA-N
MW228.70 g/mol
LogP2.37
Rot. Bonds1

About (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide

(3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 92983259) has the molecular formula C10H9ClO2S and a molecular weight of 228.70 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID92983259
Molecular FormulaC10H9ClO2S
Molecular Weight228.70 g/mol
Exact Mass228.00
IUPAC Name(3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C10H9ClO2S/c11-10-3-1-8(2-4-10)9-5-6-14(12,13)7-9/h1-6,9H,7H2/t9-/m0/s1
InChIKeyBEFHDBJVWIYHON-VIFPVBQESA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide (CID 92983259) is (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=C[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is BEFHDBJVWIYHON-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9ClO2S/c11-10-3-1-8(2-4-10)9-5-6-14(12,13)7-9/h1-6,9H,7H2/t9-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide?
(3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 228.70 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 92983259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).