[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

C12H17BrN2O4S — CID 81205329

IUPAC[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C12H17BrN2O4S/c1-8-7-19-10(6-16)5-15(8)20(17,18)12-4-9(14)2-3-11(12)13/h2-4,8,10,16H,5-7,14H2,1H3
InChIKeyVHGDAFXWJCTFEC-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.80
Rot. Bonds3

About [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol

[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (PubChem CID 81205329) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
PubChem CID81205329
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)c1cc(N)ccc1Br
InChIInChI=1S/C12H17BrN2O4S/c1-8-7-19-10(6-16)5-15(8)20(17,18)12-4-9(14)2-3-11(12)13/h2-4,8,10,16H,5-7,14H2,1H3
InChIKeyVHGDAFXWJCTFEC-UHFFFAOYSA-N
XLogP0.80
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-(2,5-dibromophenyl)sulfonyl-5-methylmorpholine
CID 81211936
[4-(5-bromo-2-methylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219098
[4-(2-amino-4-methoxyphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195535
[4-(2,5-dichlorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81218776
3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
CID 43544290
[1-(5-amino-2-bromophenyl)sulfonylazetidin-3-yl]methanol
CID 107213096
[4-(3-chloro-2-fluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219427
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
[4-(6-amino-2,3-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81195724
[4-(3-amino-4,5-dimethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81194847
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
4-bromo-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 65206811

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol (CID 81205329) is [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1S(=O)(=O)c1cc(N)ccc1Br.
What is the InChIKey of [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
The InChIKey is VHGDAFXWJCTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-8-7-19-10(6-16)5-15(8)20(17,18)12-4-9(14)2-3-11(12)13/h2-4,8,10,16H,5-7,14H2,1H3.
What are the key properties of [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol?
[4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol has a molecular weight of 365.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-2-bromophenyl)sulfonyl-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81205329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).