5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide

C13H15ClN2O2S3 — CID 60568052

IUPAC5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCc2sccc2C1)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S3/c14-12-1-2-13(20-12)21(17,18)15-5-7-16-6-3-11-10(9-16)4-8-19-11/h1-2,4,8,15H,3,5-7,9H2
InChIKeyXRUJZZQYWBAMPR-UHFFFAOYSA-N
MW362.93 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 60568052) has the molecular formula C13H15ClN2O2S3 and a molecular weight of 362.93 g/mol. Its IUPAC name is 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID60568052
Molecular FormulaC13H15ClN2O2S3
Molecular Weight362.93 g/mol
Exact Mass362.00
IUPAC Name5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCc2sccc2C1)c1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2O2S3/c14-12-1-2-13(20-12)21(17,18)15-5-7-16-6-3-11-10(9-16)4-8-19-11/h1-2,4,8,15H,3,5-7,9H2
InChIKeyXRUJZZQYWBAMPR-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide with MolForge

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Related Compounds

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3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylpropan-1-amine
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5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylpentan-1-amine
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5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
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5-(chloromethylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide (CID 60568052) is 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCN1CCc2sccc2C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is XRUJZZQYWBAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S3/c14-12-1-2-13(20-12)21(17,18)15-5-7-16-6-3-11-10(9-16)4-8-19-11/h1-2,4,8,15H,3,5-7,9H2.
What are the key properties of 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 362.93 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60568052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).