[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol

C12H17BrN2O4S — CID 114625968

IUPAC[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C12H17BrN2O4S/c1-8-4-10(13)11(14)5-12(8)20(17,18)15-2-3-19-9(6-15)7-16/h4-5,9,16H,2-3,6-7,14H2,1H3
InChIKeyIUWNJMAVVPYVDN-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.72
Rot. Bonds3

About [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol

[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 114625968) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID114625968
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C12H17BrN2O4S/c1-8-4-10(13)11(14)5-12(8)20(17,18)15-2-3-19-9(6-15)7-16/h4-5,9,16H,2-3,6-7,14H2,1H3
InChIKeyIUWNJMAVVPYVDN-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212055
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
2-bromo-5-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 114626275
2-[4-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 114625096
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol (CID 114625968) is [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol is Cc1cc(Br)c(N)cc1S(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is IUWNJMAVVPYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-8-4-10(13)11(14)5-12(8)20(17,18)15-2-3-19-9(6-15)7-16/h4-5,9,16H,2-3,6-7,14H2,1H3.
What are the key properties of [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol?
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 365.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 114625968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).