N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C19H20N2O4S — CID 102556813

IUPACN-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C19H20N2O4S/c22-18-12-3-1-4-13(18)10-15(9-12)19(23)21-26(24,25)17-6-2-5-14-11-20-8-7-16(14)17/h2,5-8,11-13,15H,1,3-4,9-10H2,(H,21,23)
InChIKeyHMVIJWWEATXTQV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.44
Rot. Bonds3

About N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 102556813) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID102556813
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2cnccc12)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C19H20N2O4S/c22-18-12-3-1-4-13(18)10-15(9-12)19(23)21-26(24,25)17-6-2-5-14-11-20-8-7-16(14)17/h2,5-8,11-13,15H,1,3-4,9-10H2,(H,21,23)
InChIKeyHMVIJWWEATXTQV-UHFFFAOYSA-N
XLogP2.44
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-N-isoquinolin-5-ylsulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99604975
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
CID 43597051
(2S)-N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 95304570
N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 102556814
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
CID 129481887
N-isoquinolin-5-ylsulfonyl-1,3-thiazole-4-carboxamide
CID 98671337
N-(pyrrolidin-2-ylmethyl)isoquinoline-5-sulfonamide
CID 11818625
N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
CID 67873381
3-(2-chlorophenyl)-N-isoquinolin-5-ylsulfonylbut-2-enamide
CID 72688298
N-isoquinolin-5-ylsulfonyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56556901
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 102556813) is N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide is O=C(NS(=O)(=O)c1cccc2cnccc12)C1CC2CCCC(C1)C2=O.
What is the InChIKey of N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is HMVIJWWEATXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c22-18-12-3-1-4-13(18)10-15(9-12)19(23)21-26(24,25)17-6-2-5-14-11-20-8-7-16(14)17/h2,5-8,11-13,15H,1,3-4,9-10H2,(H,21,23).
What are the key properties of N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-ylsulfonyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 102556813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).