4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine

C12H16ClNO5S — CID 760766

IUPAC4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1Cl
InChIInChI=1S/C12H16ClNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyFOYGFQPJVDAFGL-UHFFFAOYSA-N
MW321.78 g/mol
LogP1.38
Rot. Bonds4

About 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine

4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 760766) has the molecular formula C12H16ClNO5S and a molecular weight of 321.78 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
PubChem CID760766
Molecular FormulaC12H16ClNO5S
Molecular Weight321.78 g/mol
Exact Mass321.04
IUPAC Name4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1Cl
InChIInChI=1S/C12H16ClNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyFOYGFQPJVDAFGL-UHFFFAOYSA-N
XLogP1.38
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
1,4-bis[(4-chloro-2,5-dimethoxyphenyl)sulfonyl]-2-methylpiperazine
CID 44787244
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 1303338
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 16644819
ethyl 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 35202543
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-oxazepane
CID 4987826
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
4-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26210559

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine (CID 760766) is 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine is COc1cc(S(=O)(=O)N2CCOCC2)c(OC)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is FOYGFQPJVDAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO5S/c1-17-10-8-12(11(18-2)7-9(10)13)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine?
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 321.78 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 760766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).