4-(2-iodobenzoyl)piperazine-1-sulfonamide

C11H14IN3O3S — CID 61068450

IUPAC4-(2-iodobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C11H14IN3O3S/c12-10-4-2-1-3-9(10)11(16)14-5-7-15(8-6-14)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18)
InChIKeyIMIKJCNQZWIZFS-UHFFFAOYSA-N
MW395.22 g/mol
LogP0.25
Rot. Bonds2

About 4-(2-iodobenzoyl)piperazine-1-sulfonamide

4-(2-iodobenzoyl)piperazine-1-sulfonamide (PubChem CID 61068450) has the molecular formula C11H14IN3O3S and a molecular weight of 395.22 g/mol. Its IUPAC name is 4-(2-iodobenzoyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-iodobenzoyl)piperazine-1-sulfonamide
PubChem CID61068450
Molecular FormulaC11H14IN3O3S
Molecular Weight395.22 g/mol
Exact Mass394.98
IUPAC Name4-(2-iodobenzoyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C11H14IN3O3S/c12-10-4-2-1-3-9(10)11(16)14-5-7-15(8-6-14)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18)
InChIKeyIMIKJCNQZWIZFS-UHFFFAOYSA-N
XLogP0.25
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
[4-(benzenesulfonyl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 27509864
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
2-[4-(2-iodobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27807016
(2S)-2-amino-1-[4-(2-iodobenzoyl)piperazin-1-yl]propan-1-one
CID 119299649
cyclopropyl-[4-(2-iodobenzoyl)piperazin-1-yl]methanone
CID 46564727
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
(2-iodophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753470
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-iodophenyl)methanone
CID 61400654
2-[4-(2-iodobenzoyl)piperazin-1-yl]acetic acid
CID 43521566
4-(3-chloro-2-fluorobenzoyl)piperazine-1-sulfonamide
CID 81004842
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodobenzoyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-iodobenzoyl)piperazine-1-sulfonamide (CID 61068450) is 4-(2-iodobenzoyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-iodobenzoyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-iodobenzoyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of 4-(2-iodobenzoyl)piperazine-1-sulfonamide?
The InChIKey is IMIKJCNQZWIZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O3S/c12-10-4-2-1-3-9(10)11(16)14-5-7-15(8-6-14)19(13,17)18/h1-4H,5-8H2,(H2,13,17,18).
What are the key properties of 4-(2-iodobenzoyl)piperazine-1-sulfonamide?
4-(2-iodobenzoyl)piperazine-1-sulfonamide has a molecular weight of 395.22 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodobenzoyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61068450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).