5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

C16H17ClN2O4S2 — CID 53156251

IUPAC5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1Cl
InChIInChI=1S/C16H17ClN2O4S2/c1-10(20)19-6-5-15-11(9-19)7-16(24-15)25(21,22)18-12-3-4-14(23-2)13(17)8-12/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyFVJWVQVAQZEASY-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.12
Rot. Bonds4

About 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide

5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (PubChem CID 53156251) has the molecular formula C16H17ClN2O4S2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
PubChem CID53156251
Molecular FormulaC16H17ClN2O4S2
Molecular Weight400.91 g/mol
Exact Mass400.03
IUPAC Name5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1Cl
InChIInChI=1S/C16H17ClN2O4S2/c1-10(20)19-6-5-15-11(9-19)7-16(24-15)25(21,22)18-12-3-4-14(23-2)13(17)8-12/h3-4,7-8,18H,5-6,9H2,1-2H3
InChIKeyFVJWVQVAQZEASY-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The IUPAC name of 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide (CID 53156251) is 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)cc1Cl.
What is the InChIKey of 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
The InChIKey is FVJWVQVAQZEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S2/c1-10(20)19-6-5-15-11(9-19)7-16(24-15)25(21,22)18-12-3-4-14(23-2)13(17)8-12/h3-4,7-8,18H,5-6,9H2,1-2H3.
What are the key properties of 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide?
5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide has a molecular weight of 400.91 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3-chloro-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonamide is sourced from PubChem (CID 53156251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).