1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride

C16H24ClN3O3S — CID 119979597

IUPAC1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCl.O=C1NCCc2ccc(S(=O)(=O)NCCC3CCCNC3)cc21
InChIInChI=1S/C16H23N3O3S.ClH/c20-16-15-10-14(4-3-13(15)6-8-18-16)23(21,22)19-9-5-12-2-1-7-17-11-12;/h3-4,10,12,17,19H,1-2,5-9,11H2,(H,18,20);1H
InChIKeyFMNLYVHHQMDLKM-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.06
Rot. Bonds5

About 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride

1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (PubChem CID 119979597) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
PubChem CID119979597
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCl.O=C1NCCc2ccc(S(=O)(=O)NCCC3CCCNC3)cc21
InChIInChI=1S/C16H23N3O3S.ClH/c20-16-15-10-14(4-3-13(15)6-8-18-16)23(21,22)19-9-5-12-2-1-7-17-11-12;/h3-4,10,12,17,19H,1-2,5-9,11H2,(H,18,20);1H
InChIKeyFMNLYVHHQMDLKM-UHFFFAOYSA-N
XLogP1.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-[2-(cycloheptylamino)ethyl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119987279
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191
2-methyl-1,3-dioxo-N-(2-pyrrolidin-3-ylethyl)isoindole-5-sulfonamide;hydrochloride
CID 119977325
3-(dimethylamino)-4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979534
N-(2-piperidin-3-ylethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 119558546

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (CID 119979597) is 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is Cl.O=C1NCCc2ccc(S(=O)(=O)NCCC3CCCNC3)cc21.
What is the InChIKey of 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is FMNLYVHHQMDLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S.ClH/c20-16-15-10-14(4-3-13(15)6-8-18-16)23(21,22)19-9-5-12-2-1-7-17-11-12;/h3-4,10,12,17,19H,1-2,5-9,11H2,(H,18,20);1H.
What are the key properties of 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 373.91 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119979597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).