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

C24H18ClFN4O3S — CID 146477965

IUPAC(1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cncc(Cl)c2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1
InChIInChI=1S/C24H18ClFN4O3S/c25-22-13-27-11-15-1-5-17(9-20(15)22)29-24(31)21-10-19(21)14-2-6-18(7-3-14)34(32,33)30-23-8-4-16(26)12-28-23/h1-9,11-13,19,21H,10H2,(H,28,30)(H,29,31)/t19?,21-/m1/s1
InChIKeyBSPKIJMBEIELMN-VGAJERRHSA-N
MW496.95 g/mol
LogP4.97
Rot. Bonds6

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

(1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 146477965) has the molecular formula C24H18ClFN4O3S and a molecular weight of 496.95 g/mol. Its IUPAC name is (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
PubChem CID146477965
Molecular FormulaC24H18ClFN4O3S
Molecular Weight496.95 g/mol
Exact Mass496.08
IUPAC Name(1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cncc(Cl)c2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1
InChIInChI=1S/C24H18ClFN4O3S/c25-22-13-27-11-15-1-5-17(9-20(15)22)29-24(31)21-10-19(21)14-2-6-18(7-3-14)34(32,33)30-23-8-4-16(26)12-28-23/h1-9,11-13,19,21H,10H2,(H,28,30)(H,29,31)/t19?,21-/m1/s1
InChIKeyBSPKIJMBEIELMN-VGAJERRHSA-N
XLogP4.97
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide (CID 146477965) is (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cncc(Cl)c2c1)[C@@H]1CC1c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1.
What is the InChIKey of (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is BSPKIJMBEIELMN-VGAJERRHSA-N. The full InChI is InChI=1S/C24H18ClFN4O3S/c25-22-13-27-11-15-1-5-17(9-20(15)22)29-24(31)21-10-19(21)14-2-6-18(7-3-14)34(32,33)30-23-8-4-16(26)12-28-23/h1-9,11-13,19,21H,10H2,(H,28,30)(H,29,31)/t19?,21-/m1/s1.
What are the key properties of (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide?
(1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 496.95 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146477965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).