2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine

C11H12BrCl2NO3S — CID 81212002

IUPAC2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOC(CBr)C1
InChIInChI=1S/C11H12BrCl2NO3S/c12-6-8-7-15(3-4-18-8)19(16,17)9-1-2-10(13)11(14)5-9/h1-2,5,8H,3-4,6-7H2
InChIKeyFUOZJQQEYIMERZ-UHFFFAOYSA-N
MW389.10 g/mol
LogP2.78
Rot. Bonds3

About 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine

2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine (PubChem CID 81212002) has the molecular formula C11H12BrCl2NO3S and a molecular weight of 389.10 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
PubChem CID81212002
Molecular FormulaC11H12BrCl2NO3S
Molecular Weight389.10 g/mol
Exact Mass386.91
IUPAC Name2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOC(CBr)C1
InChIInChI=1S/C11H12BrCl2NO3S/c12-6-8-7-15(3-4-18-8)19(16,17)9-1-2-10(13)11(14)5-9/h1-2,5,8H,3-4,6-7H2
InChIKeyFUOZJQQEYIMERZ-UHFFFAOYSA-N
XLogP2.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.10
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-bromo-4-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 106605509
3-(bromomethyl)-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80676262
[4-(3-chloro-4-methoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398495
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
2-(bromomethyl)-4-(1H-pyrazol-5-ylsulfonyl)morpholine
CID 102694002
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-2-ethylmorpholine
CID 64623353
4-(3-chloro-4-fluorophenyl)sulfonyl-2-[(2,5-difluorophenoxy)methyl]morpholine
CID 3870387
4-bromo-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 80672110
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
3-chloro-1-(3,4-dichlorophenyl)sulfonylpiperidine
CID 63397150
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine (CID 81212002) is 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine is O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine?
The InChIKey is FUOZJQQEYIMERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2NO3S/c12-6-8-7-15(3-4-18-8)19(16,17)9-1-2-10(13)11(14)5-9/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine?
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine has a molecular weight of 389.10 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine is sourced from PubChem (CID 81212002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).