2-(3-bromophenyl)-4-methylsulfonylmorpholine

C11H14BrNO3S — CID 110364445

IUPAC2-(3-bromophenyl)-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrNO3S/c1-17(14,15)13-5-6-16-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyISWGELGCHRBPTL-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.78
Rot. Bonds2

About 2-(3-bromophenyl)-4-methylsulfonylmorpholine

2-(3-bromophenyl)-4-methylsulfonylmorpholine (PubChem CID 110364445) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methylsulfonylmorpholine
PubChem CID110364445
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name2-(3-bromophenyl)-4-methylsulfonylmorpholine
SMILESCS(=O)(=O)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrNO3S/c1-17(14,15)13-5-6-16-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyISWGELGCHRBPTL-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
2-(3-chlorophenyl)-N-methylmorpholine-4-sulfonamide
CID 110609461
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
(2S)-2-[5-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylmorpholine
CID 129342332
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methylsulfonylmorpholine?
The IUPAC name of 2-(3-bromophenyl)-4-methylsulfonylmorpholine (CID 110364445) is 2-(3-bromophenyl)-4-methylsulfonylmorpholine.
What is the SMILES notation for 2-(3-bromophenyl)-4-methylsulfonylmorpholine?
The canonical SMILES for 2-(3-bromophenyl)-4-methylsulfonylmorpholine is CS(=O)(=O)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-(3-bromophenyl)-4-methylsulfonylmorpholine?
The InChIKey is ISWGELGCHRBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-17(14,15)13-5-6-16-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methylsulfonylmorpholine?
2-(3-bromophenyl)-4-methylsulfonylmorpholine has a molecular weight of 320.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methylsulfonylmorpholine is sourced from PubChem (CID 110364445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).