(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C18H19IN2O4S — CID 2671434

IUPAC(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(I)c3)CC2)cc1
InChIInChI=1S/C18H19IN2O4S/c1-25-16-5-7-17(8-6-16)26(23,24)21-11-9-20(10-12-21)18(22)14-3-2-4-15(19)13-14/h2-8,13H,9-12H2,1H3
InChIKeyIKIHFKMSMGANQX-UHFFFAOYSA-N
MW486.33 g/mol
LogP2.45
Rot. Bonds4

About (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2671434) has the molecular formula C18H19IN2O4S and a molecular weight of 486.33 g/mol. Its IUPAC name is (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2671434
Molecular FormulaC18H19IN2O4S
Molecular Weight486.33 g/mol
Exact Mass486.01
IUPAC Name(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(I)c3)CC2)cc1
InChIInChI=1S/C18H19IN2O4S/c1-25-16-5-7-17(8-6-16)26(23,24)21-11-9-20(10-12-21)18(22)14-3-2-4-15(19)13-14/h2-8,13H,9-12H2,1H3
InChIKeyIKIHFKMSMGANQX-UHFFFAOYSA-N
XLogP2.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]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-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
[4-[4-(2-methoxyethoxy)phenyl]sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 30872670
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 126477329
(3-methoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778551
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
(3-iodophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51252110
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26869413
1,3-benzodioxol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601287
[4-(aminomethyl)phenyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119265565
1,3-benzothiazol-6-yl-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7601291
(4-chloro-3-nitrophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26203926
[4-(3-fluoro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 39634194

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 2671434) is (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(I)c3)CC2)cc1.
What is the InChIKey of (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is IKIHFKMSMGANQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN2O4S/c1-25-16-5-7-17(8-6-16)26(23,24)21-11-9-20(10-12-21)18(22)14-3-2-4-15(19)13-14/h2-8,13H,9-12H2,1H3.
What are the key properties of (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
(3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 486.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2671434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).