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

C11H15N3O6S — CID 81213005

IUPAC[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
SMILESNc1ccc(S(=O)(=O)N2CCOC(CO)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O6S/c12-8-1-2-11(10(5-8)14(16)17)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7,12H2
InChIKeyWUAQQVYADWVPLN-UHFFFAOYSA-N
MW317.32 g/mol
LogP-0.44
Rot. Bonds4

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

[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol (PubChem CID 81213005) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
PubChem CID81213005
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
SMILESNc1ccc(S(=O)(=O)N2CCOC(CO)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O6S/c12-8-1-2-11(10(5-8)14(16)17)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7,12H2
InChIKeyWUAQQVYADWVPLN-UHFFFAOYSA-N
XLogP-0.44
TPSA136.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(4-amino-2-nitrophenyl)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-(4-fluoro-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208677
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052
3-(2-ethylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146105
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81208390
[4-(2-chloro-5-nitrophenyl)sulfonylmorpholin-2-yl]methanol
CID 81193435
3-nitro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66369933
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
4-(4-ethylpiperidin-1-yl)sulfonyl-3-nitroaniline
CID 62152076
4-(3-methoxypyrrolidin-1-yl)sulfonyl-3-nitroaniline
CID 103538293
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-nitroaniline
CID 62147726
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
4-(4-ethylpiperazin-1-yl)sulfonyl-3-nitroaniline
CID 62149272

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol (CID 81213005) is [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol is Nc1ccc(S(=O)(=O)N2CCOC(CO)C2)c([N+](=O)[O-])c1.
What is the InChIKey of [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is WUAQQVYADWVPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c12-8-1-2-11(10(5-8)14(16)17)21(18,19)13-3-4-20-9(6-13)7-15/h1-2,5,9,15H,3-4,6-7,12H2.
What are the key properties of [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol?
[4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 317.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-nitrophenyl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 81213005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).