4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine

C11H13Cl2NO4S — CID 110758541

IUPAC4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H13Cl2NO4S/c1-17-11-9(13)6-8(12)7-10(11)19(15,16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeySFLOJUFKAPINKB-UHFFFAOYSA-N
MW326.20 g/mol
LogP2.02
Rot. Bonds3

About 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine

4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine (PubChem CID 110758541) has the molecular formula C11H13Cl2NO4S and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
PubChem CID110758541
Molecular FormulaC11H13Cl2NO4S
Molecular Weight326.20 g/mol
Exact Mass324.99
IUPAC Name4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
SMILESCOc1c(Cl)cc(Cl)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H13Cl2NO4S/c1-17-11-9(13)6-8(12)7-10(11)19(15,16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3
InChIKeySFLOJUFKAPINKB-UHFFFAOYSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
4-[[1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 55735041
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
5-chloro-2-methyl-3-morpholin-4-ylsulfonylbenzoic acid
CID 82883717
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
1-(3-bromo-5-chloro-2-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961646
4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
CID 18191807
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine (CID 110758541) is 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine is COc1c(Cl)cc(Cl)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine?
The InChIKey is SFLOJUFKAPINKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO4S/c1-17-11-9(13)6-8(12)7-10(11)19(15,16)14-2-4-18-5-3-14/h6-7H,2-5H2,1H3.
What are the key properties of 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine?
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine has a molecular weight of 326.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 110758541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).