4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine

C13H18ClNO4S — CID 110758270

IUPAC4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMYCUHIXUUWKBFS-UHFFFAOYSA-N
MW319.81 g/mol
LogP2.15
Rot. Bonds4

About 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine

4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine (PubChem CID 110758270) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
PubChem CID110758270
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyMYCUHIXUUWKBFS-UHFFFAOYSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110758210
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
CID 3868598
1-[4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817215
N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46423561
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24555330
4-[3-chloro-4-[[(2S)-oxiran-2-yl]methoxy]phenyl]sulfonylmorpholine
CID 7111818
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43873731
2-cyclopentyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide
CID 4798720
4-[3-[(2S)-butan-2-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 935135

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine (CID 110758270) is 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine is CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine?
The InChIKey is MYCUHIXUUWKBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine?
4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine has a molecular weight of 319.81 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-propan-2-yloxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 110758270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).