N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide

C83H81N15O10S4 — CID 159451452

IUPACN-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide
SMILESCC(C)CS(=O)(=O)N(c1cccc2cnccc12)S(=O)(=O)CC(C)C.CC(C)CS(=O)(=O)Nc1cccc2cnccc12.Cc1cc2c(NC(=O)c3ccc4ccccc4n3)cccc2nn1.Cc1cc2c(NC(=O)c3ccc4ncccc4c3)cccc2nn1.Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2nn1
InChIInChI=1S/2C19H14N4O.C17H24N2O4S2.C15H13N3O2S.C13H16N2O2S/c1-12-10-15-17(5-2-6-18(15)23-22-12)21-19(24)14-7-8-16-13(11-14)4-3-9-20-16;1-12-11-14-16(7-4-8-17(14)23-22-12)21-19(24)18-10-9-13-5-2-3-6-15(13)20-18;1-13(2)11-24(20,21)19(25(22,23)12-14(3)4)17-7-5-6-15-10-18-9-8-16(15)17;1-11-10-13-14(17-16-11)8-5-9-15(13)18-21(19,20)12-6-3-2-4-7-12;1-10(2)9-18(16,17)15-13-5-3-4-11-8-14-7-6-12(11)13/h2*2-11H,1H3,(H,21,24);5-10,13-14H,11-12H2,1-4H3;2-10,18H,1H3;3-8,10,15H,9H2,1-2H3
InChIKeyLTKVWHHHVRLONX-UHFFFAOYSA-N
MW1576.92 g/mol
LogP15.86
Rot. Bonds18

About N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide

N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide (PubChem CID 159451452) has the molecular formula C83H81N15O10S4 and a molecular weight of 1576.92 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide
PubChem CID159451452
Molecular FormulaC83H81N15O10S4
Molecular Weight1576.92 g/mol
Exact Mass1575.52
IUPAC NameN-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide
SMILESCC(C)CS(=O)(=O)N(c1cccc2cnccc12)S(=O)(=O)CC(C)C.CC(C)CS(=O)(=O)Nc1cccc2cnccc12.Cc1cc2c(NC(=O)c3ccc4ccccc4n3)cccc2nn1.Cc1cc2c(NC(=O)c3ccc4ncccc4c3)cccc2nn1.Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2nn1
InChIInChI=1S/2C19H14N4O.C17H24N2O4S2.C15H13N3O2S.C13H16N2O2S/c1-12-10-15-17(5-2-6-18(15)23-22-12)21-19(24)14-7-8-16-13(11-14)4-3-9-20-16;1-12-11-14-16(7-4-8-17(14)23-22-12)21-19(24)18-10-9-13-5-2-3-6-15(13)20-18;1-13(2)11-24(20,21)19(25(22,23)12-14(3)4)17-7-5-6-15-10-18-9-8-16(15)17;1-11-10-13-14(17-16-11)8-5-9-15(13)18-21(19,20)12-6-3-2-4-7-12;1-10(2)9-18(16,17)15-13-5-3-4-11-8-14-7-6-12(11)13/h2*2-11H,1H3,(H,21,24);5-10,13-14H,11-12H2,1-4H3;2-10,18H,1H3;3-8,10,15H,9H2,1-2H3
InChIKeyLTKVWHHHVRLONX-UHFFFAOYSA-N
XLogP15.86
TPSA350.96 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001576.92
LogP ≤ 515.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide with MolForge

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Related Compounds

6-[acetyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-[butyl(methyl)amino]-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-cyclopropyl-4-(methylamino)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;4-methyl-6-[methyl(methylsulfonyl)amino]-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
CID 160457809
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 157060016
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzenesulfonamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-isoquinolin-6-ylbenzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-isoquinolin-7-ylbenzamide;4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-quinolin-7-ylbenzamide
CID 157227033
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-isoquinolin-6-ylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-isoquinolin-7-ylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-quinolin-7-ylbenzamide
CID 157351298
4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 157422841
4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 157427104
4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-2-fluoro-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 157953678
4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-5-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide
CID 157967524
6-(1-amino-3-methyliminoprop-1-en-2-yl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;6-(4-amino-3-methylphenyl)-N-(1-ethylsulfonylpiperidin-4-yl)isoquinolin-8-amine;5-[8-[[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]-2-fluorobenzonitrile;5-[8-[(1-ethylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]pyridine-2-carboxamide;2-fluoro-5-[8-[[1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 158353289
4-(1,1-dioxothiazinan-2-yl)-N-(4-fluoro-3-isoquinolin-1-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,5-naphthyridin-2-yl)phenyl]benzamide
CID 158606831
N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)-2-methylbenzamide;4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,5-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzamide
CID 159454278
N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide
CID 159689703

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?
The IUPAC name of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide (CID 159451452) is N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?
The canonical SMILES for N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide is CC(C)CS(=O)(=O)N(c1cccc2cnccc12)S(=O)(=O)CC(C)C.CC(C)CS(=O)(=O)Nc1cccc2cnccc12.Cc1cc2c(NC(=O)c3ccc4ccccc4n3)cccc2nn1.Cc1cc2c(NC(=O)c3ccc4ncccc4c3)cccc2nn1.Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2nn1.
What is the InChIKey of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?
The InChIKey is LTKVWHHHVRLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H14N4O.C17H24N2O4S2.C15H13N3O2S.C13H16N2O2S/c1-12-10-15-17(5-2-6-18(15)23-22-12)21-19(24)14-7-8-16-13(11-14)4-3-9-20-16;1-12-11-14-16(7-4-8-17(14)23-22-12)21-19(24)18-10-9-13-5-2-3-6-15(13)20-18;1-13(2)11-24(20,21)19(25(22,23)12-14(3)4)17-7-5-6-15-10-18-9-8-16(15)17;1-11-10-13-14(17-16-11)8-5-9-15(13)18-21(19,20)12-6-3-2-4-7-12;1-10(2)9-18(16,17)15-13-5-3-4-11-8-14-7-6-12(11)13/h2*2-11H,1H3,(H,21,24);5-10,13-14H,11-12H2,1-4H3;2-10,18H,1H3;3-8,10,15H,9H2,1-2H3.
What are the key properties of N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide?
N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide has a molecular weight of 1576.92 g/mol, XLogP of 15.86, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2-methyl-N-(2-methylpropylsulfonyl)propane-1-sulfonamide;N-isoquinolin-5-yl-2-methylpropane-1-sulfonamide;N-(3-methylcinnolin-5-yl)benzenesulfonamide;N-(3-methylcinnolin-5-yl)quinoline-2-carboxamide;N-(3-methylcinnolin-5-yl)quinoline-6-carboxamide is sourced from PubChem (CID 159451452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).