7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine

C17H16ClNO3S — CID 76523694

IUPAC7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OC1CNCCC21)c1ccccc1Cl
InChIInChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2
InChIKeyIJACBAORMGEWJI-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.01
Rot. Bonds2

About 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine

7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine (PubChem CID 76523694) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine
PubChem CID76523694
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OC1CNCCC21)c1ccccc1Cl
InChIInChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2
InChIKeyIJACBAORMGEWJI-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

(4aS,9aR)-7-(benzenesulfonyl)-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine;hydrochloride
CID 57398612
7-(3,5-difluorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine
CID 76535876
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
2-chloro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119967181
3-[3-(benzenesulfonyl)-2-fluorophenyl]pyrrolidine
CID 66876690
4-(2-chlorophenyl)sulfonylazepane
CID 115070332
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
4-[5-(benzenesulfonyl)-2,3-dihydro-1H-inden-1-yl]azepane
CID 143209774
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
4-(2-chlorophenyl)sulfonyl-2-methylbenzoic acid
CID 59604810

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine (CID 76523694) is 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine is O=S(=O)(c1ccc2c(c1)OC1CNCCC21)c1ccccc1Cl.
What is the InChIKey of 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine?
The InChIKey is IJACBAORMGEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c18-14-3-1-2-4-17(14)23(20,21)11-5-6-12-13-7-8-19-10-16(13)22-15(12)9-11/h1-6,9,13,16,19H,7-8,10H2.
What are the key properties of 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine?
7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine has a molecular weight of 349.84 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)sulfonyl-1,2,3,4,4a,9a-hexahydro-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 76523694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).