(1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C24H20N4O3S — CID 142446935

IUPAC(1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H20N4O3S/c29-24(27-19-7-4-18-15-25-12-10-17(18)13-19)22-14-21(22)16-5-8-20(9-6-16)32(30,31)28-23-3-1-2-11-26-23/h1-13,15,21-22H,14H2,(H,26,28)(H,27,29)/t21?,22-/m1/s1
InChIKeyFKLDWZRWKZTOCJ-FOIFJWKZSA-N
MW444.52 g/mol
LogP4.17
Rot. Bonds6

About (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

(1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 142446935) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID142446935
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC Name(1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccccn2)cc1
InChIInChI=1S/C24H20N4O3S/c29-24(27-19-7-4-18-15-25-12-10-17(18)13-19)22-14-21(22)16-5-8-20(9-6-16)32(30,31)28-23-3-1-2-11-26-23/h1-13,15,21-22H,14H2,(H,26,28)(H,27,29)/t21?,22-/m1/s1
InChIKeyFKLDWZRWKZTOCJ-FOIFJWKZSA-N
XLogP4.17
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 142446935) is (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccccn2)cc1.
What is the InChIKey of (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FKLDWZRWKZTOCJ-FOIFJWKZSA-N. The full InChI is InChI=1S/C24H20N4O3S/c29-24(27-19-7-4-18-15-25-12-10-17(18)13-19)22-14-21(22)16-5-8-20(9-6-16)32(30,31)28-23-3-1-2-11-26-23/h1-13,15,21-22H,14H2,(H,26,28)(H,27,29)/t21?,22-/m1/s1.
What are the key properties of (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
(1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-isoquinolin-6-yl-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142446935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).