2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone

C14H13ClO2S2 — CID 64636056

IUPAC2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H13ClO2S2/c1-2-11-6-7-14(18-11)13(16)9-19(17)12-5-3-4-10(15)8-12/h3-8H,2,9H2,1H3
InChIKeyLRCQVMFTTRLPAE-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.95
Rot. Bonds5

About 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone

2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 64636056) has the molecular formula C14H13ClO2S2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID64636056
Molecular FormulaC14H13ClO2S2
Molecular Weight312.84 g/mol
Exact Mass312.00
IUPAC Name2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)CS(=O)c2cccc(Cl)c2)s1
InChIInChI=1S/C14H13ClO2S2/c1-2-11-6-7-14(18-11)13(16)9-19(17)12-5-3-4-10(15)8-12/h3-8H,2,9H2,1H3
InChIKeyLRCQVMFTTRLPAE-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(5-ethylthiophen-2-yl)-2-(2-methoxyphenyl)sulfinylethanone
CID 64636460
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
CID 115478142
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate
CID 62647010
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(4-chlorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43222109
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
2-(3,4-dimethylphenyl)sulfinyl-1-(5-methylthiophen-2-yl)ethanone
CID 64636687
3-(3-chlorophenyl)sulfinyl-2,2-dimethylpropanoic acid
CID 79620487
2-(3-chlorophenyl)sulfinyl-1-(3-nitrophenyl)ethanone
CID 64635868

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone (CID 64636056) is 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)CS(=O)c2cccc(Cl)c2)s1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is LRCQVMFTTRLPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S2/c1-2-11-6-7-14(18-11)13(16)9-19(17)12-5-3-4-10(15)8-12/h3-8H,2,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone?
2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 312.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 64636056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).