4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C15H21ClN4O7S2 — CID 55572820

IUPAC4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1c(Cl)cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21ClN4O7S2/c1-12-14(16)10-13(11-15(12)20(21)22)28(23,24)17-2-4-18(5-3-17)29(25,26)19-6-8-27-9-7-19/h10-11H,2-9H2,1H3
InChIKeyQFGSUDNEDIUIII-UHFFFAOYSA-N
MW468.94 g/mol
LogP0.44
Rot. Bonds5

About 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 55572820) has the molecular formula C15H21ClN4O7S2 and a molecular weight of 468.94 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID55572820
Molecular FormulaC15H21ClN4O7S2
Molecular Weight468.94 g/mol
Exact Mass468.05
IUPAC Name4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1c(Cl)cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21ClN4O7S2/c1-12-14(16)10-13(11-15(12)20(21)22)28(23,24)17-2-4-18(5-3-17)29(25,26)19-6-8-27-9-7-19/h10-11H,2-9H2,1H3
InChIKeyQFGSUDNEDIUIII-UHFFFAOYSA-N
XLogP0.44
TPSA130.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]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

4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
(4aS,8aS)-2-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11933547
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylic acid
CID 45290860
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 28533169
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119962942
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
1-[1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977464
1-[1-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpyrrolidin-3-yl]ethanamine
CID 120582971
4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629705
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2,3-dimethylpiperazine
CID 120726084
4-[4-(4-methoxy-2-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 55571141

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 55572820) is 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is Cc1c(Cl)cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is QFGSUDNEDIUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O7S2/c1-12-14(16)10-13(11-15(12)20(21)22)28(23,24)17-2-4-18(5-3-17)29(25,26)19-6-8-27-9-7-19/h10-11H,2-9H2,1H3.
What are the key properties of 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 468.94 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 55572820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).