N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride

C17H17ClN2O3S — CID 16846036

IUPACN-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc2cnccc12.Cl
InChIInChI=1S/C17H16N2O3S.ClH/c1-22-16-7-3-2-5-14(16)12-19-23(20,21)17-8-4-6-13-11-18-10-9-15(13)17;/h2-11,19H,12H2,1H3;1H
InChIKeyIGOZITRMXOAISN-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.14
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride

N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride (PubChem CID 16846036) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride
PubChem CID16846036
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride
SMILESCOc1ccccc1CNS(=O)(=O)c1cccc2cnccc12.Cl
InChIInChI=1S/C17H16N2O3S.ClH/c1-22-16-7-3-2-5-14(16)12-19-23(20,21)17-8-4-6-13-11-18-10-9-15(13)17;/h2-11,19H,12H2,1H3;1H
InChIKeyIGOZITRMXOAISN-UHFFFAOYSA-N
XLogP3.14
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]isoquinoline-5-sulfonamide
CID 25036128
N-[(2-chloro-4-fluorophenyl)methyl]isoquinoline-5-sulfonamide
CID 25042474
2-amino-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 62164569
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
N-(1H-pyrazol-5-ylmethyl)isoquinoline-5-sulfonamide
CID 61285120
[5-[(2-methoxyphenyl)methylsulfamoyl]naphthalen-1-yl] 4-methylbenzenesulfonate
CID 10311269
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
N-(3-chloro-4-methoxybutyl)isoquinoline-5-sulfonamide
CID 106245479
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
(2S)-N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 95304570

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride (CID 16846036) is N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride is COc1ccccc1CNS(=O)(=O)c1cccc2cnccc12.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride?
The InChIKey is IGOZITRMXOAISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S.ClH/c1-22-16-7-3-2-5-14(16)12-19-23(20,21)17-8-4-6-13-11-18-10-9-15(13)17;/h2-11,19H,12H2,1H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride?
N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride has a molecular weight of 364.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]isoquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 16846036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).