[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone

C21H23FN4O6S — CID 16550723

IUPAC[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O6S/c22-16-1-4-18(5-2-16)33(30,31)25-9-7-24(8-10-25)21(27)19-15-17(26(28)29)3-6-20(19)23-11-13-32-14-12-23/h1-6,15H,7-14H2
InChIKeyGKVWCMHWJGRXPW-UHFFFAOYSA-N
MW478.50 g/mol
LogP1.72
Rot. Bonds5

About [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone

[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone (PubChem CID 16550723) has the molecular formula C21H23FN4O6S and a molecular weight of 478.50 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
PubChem CID16550723
Molecular FormulaC21H23FN4O6S
Molecular Weight478.50 g/mol
Exact Mass478.13
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone
SMILESO=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN4O6S/c22-16-1-4-18(5-2-16)33(30,31)25-9-7-24(8-10-25)21(27)19-15-17(26(28)29)3-6-20(19)23-11-13-32-14-12-23/h1-6,15H,7-14H2
InChIKeyGKVWCMHWJGRXPW-UHFFFAOYSA-N
XLogP1.72
TPSA113.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone 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-(2-{4-[(3,4-Dichlorophenyl)sulfonyl]-1-piperazinyl}-5-nitrobenzoyl)morpholine
CID 2941894
Morpholin-4-yl-(2-morpholin-4-yl-5-nitrophenyl)methanone
CID 2920052
3-(morpholin-4-ylsulfonyl)-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 3245349
Ethanone, 1-[3-fluoro-4-[4-[2-(4-morpholinyl)-5-nitrobenzoyl]-1-piperazinyl]phenyl]-
CID 11396919
(2-Morpholino-5-nitrophenyl)(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
CID 29297108
3-(4-(4-Acetyl-2-fluorophenyl)piperazine-1-carbonyl)-4-morpholinobenzenesulfonamide
CID 41772744
(2-Morpholino-5-nitrophenyl)(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
CID 44580262
4-(4-(2-Morpholino-5-nitrobenzoyl)piperazin-1-yl)benzonitrile
CID 44580302
(4-(4-(Methylsulfonyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
CID 44580303
3-Fluoro-4-(4-(2-morpholino-5-nitrobenzoyl)piperazin-1-yl)benzonitrile
CID 44580304
(4-(2-Fluoro-4-(methylsulfonyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
CID 44580305
(4-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazin-1-yl)(2-morpholino-5-nitrophenyl)methanone
CID 44580340

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone (CID 16550723) is [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone is O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone?
The InChIKey is GKVWCMHWJGRXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O6S/c22-16-1-4-18(5-2-16)33(30,31)25-9-7-24(8-10-25)21(27)19-15-17(26(28)29)3-6-20(19)23-11-13-32-14-12-23/h1-6,15H,7-14H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone?
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone has a molecular weight of 478.50 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-morpholin-4-yl-5-nitrophenyl)methanone is sourced from PubChem (CID 16550723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).