[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol

C11H15ClN2O4S — CID 81206052

IUPAC[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
SMILESNc1ccc(S(=O)(=O)N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c12-10-5-8(13)1-2-11(10)19(16,17)14-3-4-18-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2
InChIKeyBHTQTTYBIKNCRM-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.30
Rot. Bonds3

About [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol

[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81206052) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81206052
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
SMILESNc1ccc(S(=O)(=O)N2CCOC(CO)C2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O4S/c12-10-5-8(13)1-2-11(10)19(16,17)14-3-4-18-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2
InChIKeyBHTQTTYBIKNCRM-UHFFFAOYSA-N
XLogP0.30
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.30
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

[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81213005
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81193435
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylbenzenecarbothioamide
CID 81202964
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol (CID 81206052) is [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol is Nc1ccc(S(=O)(=O)N2CCOC(CO)C2)c(Cl)c1.
What is the InChIKey of [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is BHTQTTYBIKNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c12-10-5-8(13)1-2-11(10)19(16,17)14-3-4-18-9(6-14)7-15/h1-2,5,9,15H,3-4,6-7,13H2.
What are the key properties of [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol?
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 306.77 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81206052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).