[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone

C17H17IN2O3S — CID 27509864

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H17IN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyLRIHPCNXPZUQAU-UHFFFAOYSA-N
MW456.31 g/mol
LogP2.44
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone

[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone (PubChem CID 27509864) has the molecular formula C17H17IN2O3S and a molecular weight of 456.31 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone
PubChem CID27509864
Molecular FormulaC17H17IN2O3S
Molecular Weight456.31 g/mol
Exact Mass456.00
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H17IN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyLRIHPCNXPZUQAU-UHFFFAOYSA-N
XLogP2.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-iodobenzoyl)piperazine-1-sulfonamide
CID 61068450
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
2-[4-(2-iodobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27807016
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 8924804
(2-hydroxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27508668
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542
2-[4-(2-iodobenzoyl)piperazin-1-yl]acetic acid
CID 43521566

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone (CID 27509864) is [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone?
The InChIKey is LRIHPCNXPZUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone has a molecular weight of 456.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone is sourced from PubChem (CID 27509864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).