8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride

C18H18ClNO3S — CID 57414387

IUPAC8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride
SMILESCN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1.Cl
InChIInChI=1S/C18H17NO3S.ClH/c1-19-10-9-18-16(12-19)15-11-14(7-8-17(15)22-18)23(20,21)13-5-3-2-4-6-13;/h2-8,11H,9-10,12H2,1H3;1H
InChIKeyBNJCBFDJGPXWQQ-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.68
Rot. Bonds2

About 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride

8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride (PubChem CID 57414387) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride
PubChem CID57414387
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride
SMILESCN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1.Cl
InChIInChI=1S/C18H17NO3S.ClH/c1-19-10-9-18-16(12-19)15-11-14(7-8-17(15)22-18)23(20,21)13-5-3-2-4-6-13;/h2-8,11H,9-10,12H2,1H3;1H
InChIKeyBNJCBFDJGPXWQQ-UHFFFAOYSA-N
XLogP3.68
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(benzenesulfonyl)-6-chloro-2-ethyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 57414656
8-(benzenesulfonyl)-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 45113534
8-(3-fluorophenyl)sulfonyl-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 45113403
[9-(benzenesulfonyl)-6-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-3-yl]-phenylmethanone
CID 12011168
8-(benzenesulfonyl)-6-(2-benzhydrylidenehydrazinyl)-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine-2-carboxylic acid
CID 88762218
7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
CID 164872530
1,2-bis(benzenesulfonyl)xanthen-9-one
CID 57005073
8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
CID 168943694
3-(benzenesulfonyl)-5-fluoro-2-methyl-1-benzofuran
CID 139078337
2-iodo-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 149450508
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818
3-(benzenesulfonyl)-6-[4-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-9-phenylcarbazole
CID 126764208

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride?
The IUPAC name of 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride (CID 57414387) is 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride is CN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1.Cl.
What is the InChIKey of 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride?
The InChIKey is BNJCBFDJGPXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S.ClH/c1-19-10-9-18-16(12-19)15-11-14(7-8-17(15)22-18)23(20,21)13-5-3-2-4-6-13;/h2-8,11H,9-10,12H2,1H3;1H.
What are the key properties of 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride?
8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-2-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 57414387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).