5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride

C18H23ClN2O3S — CID 69076668

IUPAC5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2CCNC3)c1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-3-13-7-8-17(23-2)18(11-13)24(21,22)20-16-6-4-5-14-12-19-10-9-15(14)16;/h4-8,11,19-20H,3,9-10,12H2,1-2H3;1H
InChIKeyKAPNUBIYTFSDPK-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.13
Rot. Bonds5

About 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride

5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride (PubChem CID 69076668) has the molecular formula C18H23ClN2O3S and a molecular weight of 382.91 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
PubChem CID69076668
Molecular FormulaC18H23ClN2O3S
Molecular Weight382.91 g/mol
Exact Mass382.11
IUPAC Name5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
SMILESCCc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2CCNC3)c1.Cl
InChIInChI=1S/C18H22N2O3S.ClH/c1-3-13-7-8-17(23-2)18(11-13)24(21,22)20-16-6-4-5-14-12-19-10-9-15(14)16;/h4-8,11,19-20H,3,9-10,12H2,1-2H3;1H
InChIKeyKAPNUBIYTFSDPK-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

2-chloro-N-[4-ethoxy-3-(1,2,3,4-tetrahydroisoquinolin-5-ylsulfamoyl)phenyl]acetamide;hydrate
CID 67984229
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 21271748
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
CID 67985273
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935126
N-[[4-methoxy-3-[(2-methyl-1,3-dihydroisoindol-4-yl)sulfamoyl]phenyl]methyl]acetamide
CID 154745151
3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 80547847
N-[3-[(5-ethyl-2-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 110757886
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
N-(4-ethyl-2-methylphenyl)-2-methoxybenzenesulfonamide
CID 71013503
5-ethyl-2-methoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570769

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride (CID 69076668) is 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride is CCc1ccc(OC)c(S(=O)(=O)Nc2cccc3c2CCNC3)c1.Cl.
What is the InChIKey of 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
The InChIKey is KAPNUBIYTFSDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S.ClH/c1-3-13-7-8-17(23-2)18(11-13)24(21,22)20-16-6-4-5-14-12-19-10-9-15(14)16;/h4-8,11,19-20H,3,9-10,12H2,1-2H3;1H.
What are the key properties of 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride has a molecular weight of 382.91 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 69076668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).