[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol

C11H13ClN2O6S — CID 81193435

IUPAC[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C11H13ClN2O6S/c12-10-2-1-8(14(16)17)5-11(10)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeyXQXRDIAQCWTGFJ-UHFFFAOYSA-N
MW336.75 g/mol
LogP0.63
Rot. Bonds4

About [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol

[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81193435) has the molecular formula C11H13ClN2O6S and a molecular weight of 336.75 g/mol. Its IUPAC name is [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81193435
Molecular FormulaC11H13ClN2O6S
Molecular Weight336.75 g/mol
Exact Mass336.02
IUPAC Name[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C11H13ClN2O6S/c12-10-2-1-8(14(16)17)5-11(10)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7H2
InChIKeyXQXRDIAQCWTGFJ-UHFFFAOYSA-N
XLogP0.63
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-5-nitrophenyl)sulfonyl-2-methylmorpholine
CID 43394184
[4-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208677
[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81213005
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
1-(2-chloro-5-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031991
[4-(5-amino-2-chloro-4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81206350
(3R)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-3-amine
CID 28522353
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390
[4-(2,6-dichloro-4-nitrophenyl)morpholin-2-yl]methanol
CID 104917843
2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 51294925
1-(2-chloro-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 29034322

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol (CID 81193435) is [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOC(CO)C2)c1.
What is the InChIKey of [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is XQXRDIAQCWTGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O6S/c12-10-2-1-8(14(16)17)5-11(10)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7H2.
What are the key properties of [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 336.75 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81193435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).