N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

C15H13ClFNO4S2 — CID 102556409

IUPACN-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO4S2/c16-10-1-2-13(11(17)7-10)24(20,21)18-14(19)8-12-15-9(3-5-22-12)4-6-23-15/h1-2,4,6-7,12H,3,5,8H2,(H,18,19)
InChIKeyYINXAUZNVZBYNL-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.05
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide

N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (PubChem CID 102556409) has the molecular formula C15H13ClFNO4S2 and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
PubChem CID102556409
Molecular FormulaC15H13ClFNO4S2
Molecular Weight389.86 g/mol
Exact Mass389.00
IUPAC NameN-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
SMILESO=C(CC1OCCc2ccsc21)NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO4S2/c16-10-1-2-13(11(17)7-10)24(20,21)18-14(19)8-12-15-9(3-5-22-12)4-6-23-15/h1-2,4,6-7,12H,3,5,8H2,(H,18,19)
InChIKeyYINXAUZNVZBYNL-UHFFFAOYSA-N
XLogP3.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide (CID 102556409) is N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is O=C(CC1OCCc2ccsc21)NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
The InChIKey is YINXAUZNVZBYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO4S2/c16-10-1-2-13(11(17)7-10)24(20,21)18-14(19)8-12-15-9(3-5-22-12)4-6-23-15/h1-2,4,6-7,12H,3,5,8H2,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide?
N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide has a molecular weight of 389.86 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide is sourced from PubChem (CID 102556409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).