4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

C14H20BrNO4S — CID 2969390

IUPAC4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(Br)ccc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H20BrNO4S/c1-4-19-13-7-12(15)5-6-14(13)21(17,18)16-8-10(2)20-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeySMBZALNWEANWTM-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.65
Rot. Bonds4

About 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2969390) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2969390
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Name4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(Br)ccc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C14H20BrNO4S/c1-4-19-13-7-12(15)5-6-14(13)21(17,18)16-8-10(2)20-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeySMBZALNWEANWTM-UHFFFAOYSA-N
XLogP2.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2969390) is 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1cc(Br)ccc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is SMBZALNWEANWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-4-19-13-7-12(15)5-6-14(13)21(17,18)16-8-10(2)20-11(3)9-16/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 378.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-ethoxyphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2969390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).