4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine

C17H18BrNO3S — CID 110326570

IUPAC4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(Br)cc3)CCO2)cc1
InChIInChI=1S/C17H18BrNO3S/c1-13-2-4-14(5-3-13)17-12-19(10-11-22-17)23(20,21)16-8-6-15(18)7-9-16/h2-9,17H,10-12H2,1H3
InChIKeyDQYGRYJUYIMZNT-UHFFFAOYSA-N
MW396.31 g/mol
LogP3.52
Rot. Bonds3

About 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine

4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine (PubChem CID 110326570) has the molecular formula C17H18BrNO3S and a molecular weight of 396.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
PubChem CID110326570
Molecular FormulaC17H18BrNO3S
Molecular Weight396.31 g/mol
Exact Mass395.02
IUPAC Name4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(Br)cc3)CCO2)cc1
InChIInChI=1S/C17H18BrNO3S/c1-13-2-4-14(5-3-13)17-12-19(10-11-22-17)23(20,21)16-8-6-15(18)7-9-16/h2-9,17H,10-12H2,1H3
InChIKeyDQYGRYJUYIMZNT-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N-[4-[2-(4-methylphenyl)morpholin-4-yl]sulfonylphenyl]acetamide
CID 110326603
(6S,10R)-10-(4-bromophenyl)-4-(4-methylphenyl)sulfonyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 134949524
(2R)-2-(4,6-dimethylpyrimidin-2-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 124999153
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 125009252
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-(4-methylphenyl)sulfonylmorpholine
CID 44576423
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
1-[4-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylphenyl]ethanone
CID 42949946
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124974810
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
CID 110327247

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine (CID 110326570) is 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine is Cc1ccc(C2CN(S(=O)(=O)c3ccc(Br)cc3)CCO2)cc1.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine?
The InChIKey is DQYGRYJUYIMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3S/c1-13-2-4-14(5-3-13)17-12-19(10-11-22-17)23(20,21)16-8-6-15(18)7-9-16/h2-9,17H,10-12H2,1H3.
What are the key properties of 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine?
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine has a molecular weight of 396.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine is sourced from PubChem (CID 110326570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).