N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide

C11H14INO4S2 — CID 55033017

IUPACN-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C11H14INO4S2/c12-10-3-1-2-4-11(10)13-19(16,17)9-5-7-18(14,15)8-6-9/h1-4,9,13H,5-8H2
InChIKeyMLQZGIKWSNWNRF-UHFFFAOYSA-N
MW415.27 g/mol
LogP1.61
Rot. Bonds3

About N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide

N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 55033017) has the molecular formula C11H14INO4S2 and a molecular weight of 415.27 g/mol. Its IUPAC name is N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide
PubChem CID55033017
Molecular FormulaC11H14INO4S2
Molecular Weight415.27 g/mol
Exact Mass414.94
IUPAC NameN-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C11H14INO4S2/c12-10-3-1-2-4-11(10)13-19(16,17)9-5-7-18(14,15)8-6-9/h1-4,9,13H,5-8H2
InChIKeyMLQZGIKWSNWNRF-UHFFFAOYSA-N
XLogP1.61
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenylethene-1-sulfonamide
CID 12322399
N-(2-iodophenyl)methanesulfonamide
CID 780001
N-(4-iodophenyl)methanesulfonamide
CID 836147
N-(3-iodophenyl)methanesulfonamide
CID 21830928
Cyclohexanesulfonanilide
CID 232037
1-Propanesulfonamide, N-phenyl-
CID 81166
3-{[(4-Fluorophenyl)amino]sulfonyl}-1-hydroxythiolan-1-one
CID 16958012
1-(4-Fluorophenyl)iminothiane 1-oxide
CID 137635232
1-Phenyliminothiane 1-oxide
CID 137638302
3-[(Phenylamino)sulfonyl]thiolane-1,1-dione
CID 4221578
N-phenylethanesulfonamide
CID 767447
N-Phenyl-2-propene-1-sulfonamide
CID 778781

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide (CID 55033017) is N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccccc2I)CC1.
What is the InChIKey of N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is MLQZGIKWSNWNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO4S2/c12-10-3-1-2-4-11(10)13-19(16,17)9-5-7-18(14,15)8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide?
N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 415.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 55033017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).