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

C15H22ClN3O3S — CID 120722518

IUPACN-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-10-4-6-16-9-14(10)18-22(20,21)12-3-2-11-5-7-17-15(19)13(11)8-12;/h2-3,8,10,14,16,18H,4-7,9H2,1H3,(H,17,19);1H
InChIKeyLTHKYEKIQBWPAA-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.67
Rot. Bonds3

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

N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (PubChem CID 120722518) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
PubChem CID120722518
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
SMILESCC1CCNCC1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-10-4-6-16-9-14(10)18-22(20,21)12-3-2-11-5-7-17-15(19)13(11)8-12;/h2-3,8,10,14,16,18H,4-7,9H2,1H3,(H,17,19);1H
InChIKeyLTHKYEKIQBWPAA-UHFFFAOYSA-N
XLogP0.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
7-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 120719053
N-(2-methyloxan-4-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 75439670
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
3-fluoro-N-(4-methylpiperidin-3-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722763
1-oxo-N-(oxolan-3-yl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 126783536
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
3-methyl-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 55202262
1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119979597
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120723238

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The IUPAC name of N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride (CID 120722518) is N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is CC1CCNCC1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2.Cl.
What is the InChIKey of N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
The InChIKey is LTHKYEKIQBWPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-10-4-6-16-9-14(10)18-22(20,21)12-3-2-11-5-7-17-15(19)13(11)8-12;/h2-3,8,10,14,16,18H,4-7,9H2,1H3,(H,17,19);1H.
What are the key properties of N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride?
N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride is sourced from PubChem (CID 120722518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).