[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

C24H23N3O6S — CID 42993440

IUPAC[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H23N3O6S/c28-24(20-9-6-10-21(17-20)33-18-19-7-2-1-3-8-19)25-13-15-26(16-14-25)34(31,32)23-12-5-4-11-22(23)27(29)30/h1-12,17H,13-16,18H2
InChIKeyHCOFEURVEXICNB-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.32
Rot. Bonds7

About [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone

[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone (PubChem CID 42993440) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
PubChem CID42993440
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC Name[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
SMILESO=C(c1cccc(OCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H23N3O6S/c28-24(20-9-6-10-21(17-20)33-18-19-7-2-1-3-8-19)25-13-15-26(16-14-25)34(31,32)23-12-5-4-11-22(23)27(29)30/h1-12,17H,13-16,18H2
InChIKeyHCOFEURVEXICNB-UHFFFAOYSA-N
XLogP3.32
TPSA110.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
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'}

Analyze [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)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-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 17449026
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982
[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenoxyphenyl)methanone
CID 26868415
(3-bromo-5-fluorophenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 112826312
benzyl (6R)-6-hydroxy-4-(2-nitrophenyl)sulfonyl-1,4-diazepane-1-carboxylate
CID 163246604
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 55755643
2-[4-(3-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 7942101
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-phenylmethoxy-4-pyridinyl)methanone
CID 55997871
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 2901057
(5-methylfuran-2-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 2551564
(2-chloro-4,5-difluorophenyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 42993433

Frequently Asked Questions

What is the IUPAC name of [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone (CID 42993440) is [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone is O=C(c1cccc(OCc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
The InChIKey is HCOFEURVEXICNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6S/c28-24(20-9-6-10-21(17-20)33-18-19-7-2-1-3-8-19)25-13-15-26(16-14-25)34(31,32)23-12-5-4-11-22(23)27(29)30/h1-12,17H,13-16,18H2.
What are the key properties of [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone?
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone has a molecular weight of 481.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 42993440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).