N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide

C80H67N11O10S4 — CID 158985779

IUPACN-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide
SMILESCC(=O)Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2cn1.CN(c1ccccc1)S(=O)(=O)c1cccc2cnccc12.Nc1nccc2c(NS(=O)(=O)c3ccccc3)cccc12.O=C(Nc1ccccc1)c1cccc2cnccc12.O=S(=O)(Nc1ccc2cnccc2c1)c1ccccc1
InChIInChI=1S/C18H16N2O3S.C16H14N2O2S.C16H12N2O.C15H13N3O2S.C15H12N2O2S/c1-13(21)10-15-11-17-14(12-19-15)6-5-9-18(17)20-24(22,23)16-7-3-2-4-8-16;1-18(14-7-3-2-4-8-14)21(19,20)16-9-5-6-13-12-17-11-10-15(13)16;19-16(18-13-6-2-1-3-7-13)15-8-4-5-12-11-17-10-9-14(12)15;16-15-13-7-4-8-14(12(13)9-10-17-15)18-21(19,20)11-5-2-1-3-6-11;18-20(19,15-4-2-1-3-5-15)17-14-7-6-13-11-16-9-8-12(13)10-14/h2-9,11-12,20H,10H2,1H3;2-12H,1H3;1-11H,(H,18,19);1-10,18H,(H2,16,17);1-11,17H
InChIKeyJPOBAVHCTFICGF-UHFFFAOYSA-N
MW1470.75 g/mol
LogP15.37
Rot. Bonds16

About N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide

N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide (PubChem CID 158985779) has the molecular formula C80H67N11O10S4 and a molecular weight of 1470.75 g/mol. Its IUPAC name is N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide
PubChem CID158985779
Molecular FormulaC80H67N11O10S4
Molecular Weight1470.75 g/mol
Exact Mass1469.40
IUPAC NameN-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide
SMILESCC(=O)Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2cn1.CN(c1ccccc1)S(=O)(=O)c1cccc2cnccc12.Nc1nccc2c(NS(=O)(=O)c3ccccc3)cccc12.O=C(Nc1ccccc1)c1cccc2cnccc12.O=S(=O)(Nc1ccc2cnccc2c1)c1ccccc1
InChIInChI=1S/C18H16N2O3S.C16H14N2O2S.C16H12N2O.C15H13N3O2S.C15H12N2O2S/c1-13(21)10-15-11-17-14(12-19-15)6-5-9-18(17)20-24(22,23)16-7-3-2-4-8-16;1-18(14-7-3-2-4-8-14)21(19,20)16-9-5-6-13-12-17-11-10-15(13)16;19-16(18-13-6-2-1-3-7-13)15-8-4-5-12-11-17-10-9-14(12)15;16-15-13-7-4-8-14(12(13)9-10-17-15)18-21(19,20)11-5-2-1-3-6-11;18-20(19,15-4-2-1-3-5-15)17-14-7-6-13-11-16-9-8-12(13)10-14/h2-9,11-12,20H,10H2,1H3;2-12H,1H3;1-11H,(H,18,19);1-10,18H,(H2,16,17);1-11,17H
InChIKeyJPOBAVHCTFICGF-UHFFFAOYSA-N
XLogP15.37
TPSA312.53 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.75
LogP ≤ 515.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide with MolForge

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Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
3-amino-N-isoquinolin-6-ylbenzenesulfonamide
CID 122455242
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43879853
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide?
The IUPAC name of N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide (CID 158985779) is N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide.
What is the SMILES notation for N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide?
The canonical SMILES for N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide is CC(=O)Cc1cc2c(NS(=O)(=O)c3ccccc3)cccc2cn1.CN(c1ccccc1)S(=O)(=O)c1cccc2cnccc12.Nc1nccc2c(NS(=O)(=O)c3ccccc3)cccc12.O=C(Nc1ccccc1)c1cccc2cnccc12.O=S(=O)(Nc1ccc2cnccc2c1)c1ccccc1.
What is the InChIKey of N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide?
The InChIKey is JPOBAVHCTFICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S.C16H14N2O2S.C16H12N2O.C15H13N3O2S.C15H12N2O2S/c1-13(21)10-15-11-17-14(12-19-15)6-5-9-18(17)20-24(22,23)16-7-3-2-4-8-16;1-18(14-7-3-2-4-8-14)21(19,20)16-9-5-6-13-12-17-11-10-15(13)16;19-16(18-13-6-2-1-3-7-13)15-8-4-5-12-11-17-10-9-14(12)15;16-15-13-7-4-8-14(12(13)9-10-17-15)18-21(19,20)11-5-2-1-3-6-11;18-20(19,15-4-2-1-3-5-15)17-14-7-6-13-11-16-9-8-12(13)10-14/h2-9,11-12,20H,10H2,1H3;2-12H,1H3;1-11H,(H,18,19);1-10,18H,(H2,16,17);1-11,17H.
What are the key properties of N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide?
N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide has a molecular weight of 1470.75 g/mol, XLogP of 15.37, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoisoquinolin-5-yl)benzenesulfonamide;N-isoquinolin-6-ylbenzenesulfonamide;N-methyl-N-phenylisoquinoline-5-sulfonamide;N-[3-(2-oxopropyl)isoquinolin-5-yl]benzenesulfonamide;N-phenylisoquinoline-5-carboxamide is sourced from PubChem (CID 158985779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).