N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide

C20H19N3O4S — CID 8763122

IUPACN-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc2cnccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19N3O4S/c24-20(22-19-6-2-4-16-14-21-8-7-18(16)19)15-3-1-5-17(13-15)28(25,26)23-9-11-27-12-10-23/h1-8,13-14H,9-12H2,(H,22,24)
InChIKeySNCGHGRMMOBNOR-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.51
Rot. Bonds4

About N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide

N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 8763122) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID8763122
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1cccc2cnccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19N3O4S/c24-20(22-19-6-2-4-16-14-21-8-7-18(16)19)15-3-1-5-17(13-15)28(25,26)23-9-11-27-12-10-23/h1-8,13-14H,9-12H2,(H,22,24)
InChIKeySNCGHGRMMOBNOR-UHFFFAOYSA-N
XLogP2.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide (CID 8763122) is N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1cccc2cnccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SNCGHGRMMOBNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c24-20(22-19-6-2-4-16-14-21-8-7-18(16)19)15-3-1-5-17(13-15)28(25,26)23-9-11-27-12-10-23/h1-8,13-14H,9-12H2,(H,22,24).
What are the key properties of N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide?
N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 397.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 8763122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).