2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine

C17H17FN2O5S — CID 110369292

IUPAC2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H17FN2O5S/c1-12-10-19(11-17(25-12)13-5-7-14(18)8-6-13)26(23,24)16-4-2-3-15(9-16)20(21)22/h2-9,12,17H,10-11H2,1H3
InChIKeyWASOHVMFWDRJLD-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.88
Rot. Bonds4

About 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine

2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine (PubChem CID 110369292) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
PubChem CID110369292
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H17FN2O5S/c1-12-10-19(11-17(25-12)13-5-7-14(18)8-6-13)26(23,24)16-4-2-3-15(9-16)20(21)22/h2-9,12,17H,10-11H2,1H3
InChIKeyWASOHVMFWDRJLD-UHFFFAOYSA-N
XLogP2.88
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine 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

(2S,6S)-2-methyl-4-(4-nitrophenyl)sulfonyl-6-phenylmorpholine
CID 95220723
3-(3-nitrophenyl)sulfonyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 171592449
3,5-dimethyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 63874619
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methyl-6-phenylmorpholine
CID 110369020
2-(4-ethylphenyl)-4-(3-nitrophenyl)sulfonylmorpholine
CID 110364088
2-(3-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867940
(3S)-3-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 104976600
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 46521653
4-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-nitrobenzenesulfonamide
CID 133330409
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(4-fluorophenyl)-6-methylmorpholine
CID 110369285
4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
1-methyl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium
CID 7324404

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine (CID 110369292) is 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine is CC1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine?
The InChIKey is WASOHVMFWDRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-12-10-19(11-17(25-12)13-5-7-14(18)8-6-13)26(23,24)16-4-2-3-15(9-16)20(21)22/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine?
2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine has a molecular weight of 380.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-4-(3-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 110369292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).