5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H13Cl2NO2S2 — CID 56514315

IUPAC5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C14H13Cl2NO2S2/c15-12-2-1-10(7-13(12)16)9-21(18,19)17-5-3-14-11(8-17)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2
InChIKeyZAJMWWSBZWMPDK-UHFFFAOYSA-N
MW362.30 g/mol
LogP3.94
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 56514315) has the molecular formula C14H13Cl2NO2S2 and a molecular weight of 362.30 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID56514315
Molecular FormulaC14H13Cl2NO2S2
Molecular Weight362.30 g/mol
Exact Mass360.98
IUPAC Name5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1
InChIInChI=1S/C14H13Cl2NO2S2/c15-12-2-1-10(7-13(12)16)9-21(18,19)17-5-3-14-11(8-17)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2
InChIKeyZAJMWWSBZWMPDK-UHFFFAOYSA-N
XLogP3.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine 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

5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63666976
5-[(3,4-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
CID 3041286
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-ethylsulfonylpiperazine
CID 56581987
1-[(3,4-dichlorophenyl)methylsulfonyl]piperazine
CID 119961725
3-(4,6,7,8-tetrahydrothieno[3,2-c]azepin-5-ylsulfonylmethyl)benzonitrile
CID 56783922
5-(3-chloro-2-methylpropyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79580811
1-[(3,4-dichlorophenyl)methylsulfonyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 56582044
(3aR,6aS)-5-[(3,4-dichlorophenyl)methylsulfonyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120665336
2,6-dichloro-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)aniline
CID 82832751
3-chloro-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-1H-pyridin-2-one
CID 64607284
2-(3,4-dichlorophenyl)-N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylphenyl]acetamide
CID 123984754
N,N-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-sulfonamide
CID 35321093

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 56514315) is 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ZAJMWWSBZWMPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S2/c15-12-2-1-10(7-13(12)16)9-21(18,19)17-5-3-14-11(8-17)4-6-20-14/h1-2,4,6-7H,3,5,8-9H2.
What are the key properties of 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 362.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methylsulfonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 56514315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).