4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine

C12H16ClNO3S — CID 110727881

IUPAC4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
SMILESCC1OCCN(S(=O)(=O)c2ccccc2Cl)C1C
InChIInChI=1S/C12H16ClNO3S/c1-9-10(2)17-8-7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyZGXPARVYKDKKML-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.14
Rot. Bonds2

About 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine

4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine (PubChem CID 110727881) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
PubChem CID110727881
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
SMILESCC1OCCN(S(=O)(=O)c2ccccc2Cl)C1C
InChIInChI=1S/C12H16ClNO3S/c1-9-10(2)17-8-7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyZGXPARVYKDKKML-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 47256567
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
2,3-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholine
CID 110727844
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
3-(benzenesulfonyl)-2-methyl-1,3-oxazolidine
CID 110740223
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110727870
[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 129367282
(2R,3S)-4-(2-chloro-6-fluorophenyl)sulfonyl-2-methylmorpholine-3-carboxamide
CID 128977309
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
(3S)-4-(2-chlorophenyl)sulfonyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344824

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine (CID 110727881) is 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine is CC1OCCN(S(=O)(=O)c2ccccc2Cl)C1C.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
The InChIKey is ZGXPARVYKDKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-10(2)17-8-7-14(9)18(15,16)12-6-4-3-5-11(12)13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine has a molecular weight of 289.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-2,3-dimethylmorpholine is sourced from PubChem (CID 110727881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).