N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide

C24H18Cl2N4O3S — CID 155370542

IUPACN-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cncc(Cl)c2c1)C1CC1c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H18Cl2N4O3S/c25-16-4-8-23(28-12-16)30-34(32,33)18-6-2-14(3-7-18)19-10-21(19)24(31)29-17-5-1-15-11-27-13-22(26)20(15)9-17/h1-9,11-13,19,21H,10H2,(H,28,30)(H,29,31)
InChIKeyQGEZKKOMVLSFMI-UHFFFAOYSA-N
MW513.41 g/mol
LogP5.48
Rot. Bonds6

About N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide

N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 155370542) has the molecular formula C24H18Cl2N4O3S and a molecular weight of 513.41 g/mol. Its IUPAC name is N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
PubChem CID155370542
Molecular FormulaC24H18Cl2N4O3S
Molecular Weight513.41 g/mol
Exact Mass512.05
IUPAC NameN-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cncc(Cl)c2c1)C1CC1c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H18Cl2N4O3S/c25-16-4-8-23(28-12-16)30-34(32,33)18-6-2-14(3-7-18)19-10-21(19)24(31)29-17-5-1-15-11-27-13-22(26)20(15)9-17/h1-9,11-13,19,21H,10H2,(H,28,30)(H,29,31)
InChIKeyQGEZKKOMVLSFMI-UHFFFAOYSA-N
XLogP5.48
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.41
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 146477972
trans-(1R,2R)-2-[4-[[5-[(dimethylamino)methyl]-2-pyridinyl]sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
CID 170036776
trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036729
[4-[(1R,2R)-2-[(4-chloroisoquinolin-6-yl)carbamoyl]cyclopropyl]phenyl]methyl N-(4-methylphenyl)sulfonylcarbamate
CID 142446825
trans-(1R,2R)-N-(4-methylisoquinolin-6-yl)-2-[4-[(6-piperidin-4-ylpyrazin-2-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 146477904
trans-(1R,2R)-N-(4-chloro-5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 155370570
N-(4-chloroisoquinolin-6-yl)-2-[4-(methylaminosulfanyl)phenyl]cyclopropane-1-carboxamide;piperidine
CID 142446931
(2R)-N-(4-chloroisoquinolin-6-yl)-2-[4-(methylaminosulfanyl)phenyl]cyclopropane-1-carboxamide;piperidine
CID 142446912
trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036938
N-isoquinolin-6-yl-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 135200030
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(piperidin-4-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 135374939
N-[4-[(2-chlorophenyl)methylsulfamoyl]phenyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 171778271

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide (CID 155370542) is N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cncc(Cl)c2c1)C1CC1c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is QGEZKKOMVLSFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O3S/c25-16-4-8-23(28-12-16)30-34(32,33)18-6-2-14(3-7-18)19-10-21(19)24(31)29-17-5-1-15-11-27-13-22(26)20(15)9-17/h1-9,11-13,19,21H,10H2,(H,28,30)(H,29,31).
What are the key properties of N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 513.41 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155370542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).