4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine

C12H15Br2NO5S — CID 21210207

IUPAC4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(Br)c(Br)c(S(=O)(=O)N2CCOCC2)c1OC
InChIInChI=1S/C12H15Br2NO5S/c1-18-9-7-8(13)10(14)12(11(9)19-2)21(16,17)15-3-5-20-6-4-15/h7H,3-6H2,1-2H3
InChIKeyAHFDLFGSZXVLMN-UHFFFAOYSA-N
MW445.13 g/mol
LogP2.25
Rot. Bonds4

About 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine

4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 21210207) has the molecular formula C12H15Br2NO5S and a molecular weight of 445.13 g/mol. Its IUPAC name is 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
PubChem CID21210207
Molecular FormulaC12H15Br2NO5S
Molecular Weight445.13 g/mol
Exact Mass442.90
IUPAC Name4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(Br)c(Br)c(S(=O)(=O)N2CCOCC2)c1OC
InChIInChI=1S/C12H15Br2NO5S/c1-18-9-7-8(13)10(14)12(11(9)19-2)21(16,17)15-3-5-20-6-4-15/h7H,3-6H2,1-2H3
InChIKeyAHFDLFGSZXVLMN-UHFFFAOYSA-N
XLogP2.25
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.13
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2,4-dimethoxyphenyl)sulfonylmorpholine
CID 13458319
4-(4-bromo-3-methoxythiophen-2-yl)sulfonylmorpholine
CID 59654484
4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)sulfonylmorpholine
CID 18191807
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
4-(3-bromo-2,4,6-trimethylphenyl)sulfonylmorpholine
CID 7731309
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 1349058
4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
CID 110758314
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
4-(4-ethyl-3-methoxyphenyl)sulfonylmorpholine
CID 166828516

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine (CID 21210207) is 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine is COc1cc(Br)c(Br)c(S(=O)(=O)N2CCOCC2)c1OC.
What is the InChIKey of 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is AHFDLFGSZXVLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO5S/c1-18-9-7-8(13)10(14)12(11(9)19-2)21(16,17)15-3-5-20-6-4-15/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine?
4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 445.13 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dibromo-5,6-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 21210207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).