8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

C19H18ClNO3S — CID 57414656

IUPAC8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESCCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1
InChIInChI=1S/C19H18ClNO3S/c1-2-21-9-8-18-16(12-21)15-10-14(11-17(20)19(15)24-18)25(22,23)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3
InChIKeyASAYPXUWKXHIBA-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.30
Rot. Bonds3

About 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine

8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (PubChem CID 57414656) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
PubChem CID57414656
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
SMILESCCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1
InChIInChI=1S/C19H18ClNO3S/c1-2-21-9-8-18-16(12-21)15-10-14(11-17(20)19(15)24-18)25(22,23)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3
InChIKeyASAYPXUWKXHIBA-UHFFFAOYSA-N
XLogP4.30
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(8-(benzenesulfonyl)-6-chloro-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine);dihydrochloride
CID 159203594
8-(benzenesulfonyl)-6-chloro-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine;8-(benzenesulfonyl)-6-chloro-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine;dihydrochloride
CID 159087085
8-(benzenesulfonyl)-6-(2-benzhydrylidenehydrazinyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxylic acid
CID 88762218
8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride
CID 57414387
5,7-dichloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157202
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-(2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)-4-phenylmethoxypyridin-2-one
CID 90198810
6,7-dichloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 60984693
4-[2-[4-[5-(benzenesulfonyl)-2-chlorophenyl]sulfonylpiperazin-1-yl]ethyl]morpholine
CID 57430502
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
(5aR,10bS)-9-(benzenesulfonyl)-3-ethyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole;(5aR,10bS)-3-ethyl-9-(4-fluorophenyl)sulfonyl-2,4,5,5a,6,10b-hexahydro-1H-azepino[4,5-b]indole
CID 160622643

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine (CID 57414656) is 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is CCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1.
What is the InChIKey of 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
The InChIKey is ASAYPXUWKXHIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-2-21-9-8-18-16(12-21)15-10-14(11-17(20)19(15)24-18)25(22,23)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3.
What are the key properties of 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine?
8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine has a molecular weight of 375.88 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 57414656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).