4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine

C13H13ClN2O3S — CID 102039271

IUPAC4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc2cnc(Cl)cc12)N1CCOCC1
InChIInChI=1S/C13H13ClN2O3S/c14-13-8-11-10(9-15-13)2-1-3-12(11)20(17,18)16-4-6-19-7-5-16/h1-3,8-9H,4-7H2
InChIKeySFKGDXPYUYSCEC-UHFFFAOYSA-N
MW312.78 g/mol
LogP1.91
Rot. Bonds2

About 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine

4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine (PubChem CID 102039271) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine
PubChem CID102039271
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cccc2cnc(Cl)cc12)N1CCOCC1
InChIInChI=1S/C13H13ClN2O3S/c14-13-8-11-10(9-15-13)2-1-3-12(11)20(17,18)16-4-6-19-7-5-16/h1-3,8-9H,4-7H2
InChIKeySFKGDXPYUYSCEC-UHFFFAOYSA-N
XLogP1.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonylisoquinoline
CID 23904900
1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
2-chloro-3-morpholin-4-ylsulfonyl-8,9,10,11-tetrahydro-7H-azepino[1,2-a]quinazolin-5-one
CID 2999926
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine
CID 59284569
2-chloro-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 33308662
3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine?
The IUPAC name of 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine (CID 102039271) is 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine?
The canonical SMILES for 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine is O=S(=O)(c1cccc2cnc(Cl)cc12)N1CCOCC1.
What is the InChIKey of 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine?
The InChIKey is SFKGDXPYUYSCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c14-13-8-11-10(9-15-13)2-1-3-12(11)20(17,18)16-4-6-19-7-5-16/h1-3,8-9H,4-7H2.
What are the key properties of 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine?
4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine has a molecular weight of 312.78 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine is sourced from PubChem (CID 102039271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).