N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide

C7H12INO4S2 — CID 129033387

IUPACN-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(C(C)(C)I)S(=O)(=O)C=C
InChIInChI=1S/C7H12INO4S2/c1-5-14(10,11)9(7(3,4)8)15(12,13)6-2/h5-6H,1-2H2,3-4H3
InChIKeyKOLBGIYTITYXBD-UHFFFAOYSA-N
MW365.21 g/mol
LogP1.41
Rot. Bonds5

About N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide

N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide (PubChem CID 129033387) has the molecular formula C7H12INO4S2 and a molecular weight of 365.21 g/mol. Its IUPAC name is N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide.

Molecular Properties

Compound NameN-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide
PubChem CID129033387
Molecular FormulaC7H12INO4S2
Molecular Weight365.21 g/mol
Exact Mass364.93
IUPAC NameN-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)N(C(C)(C)I)S(=O)(=O)C=C
InChIInChI=1S/C7H12INO4S2/c1-5-14(10,11)9(7(3,4)8)15(12,13)6-2/h5-6H,1-2H2,3-4H3
InChIKeyKOLBGIYTITYXBD-UHFFFAOYSA-N
XLogP1.41
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-ethenyl-methylidene-oxo-λ6-sulfane
CID 165087260
N,N-dipropylethenesulfonamide
CID 22164671
CID 157288290
CID 157288290
N-(methoxymethyl)-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 155476018
N-[6-(dimethylamino)hexyl]-N-methylethenesulfonamide
CID 143744840
bis(1-ethenylsulfonylethene);methanol
CID 19939004
1,1-diiodoethanesulfonyl chloride
CID 54187049
2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
CID 173041848
N,N,2-trimethylbut-3-en-2-amine
CID 20672931
tetrakis(ethenyl)-λ4-sulfane
CID 88531359
2-[ethenylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
CID 167818857
ethenesulfonamide
CID 520075

Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide?
The IUPAC name of N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide (CID 129033387) is N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide.
What is the SMILES notation for N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide?
The canonical SMILES for N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide is C=CS(=O)(=O)N(C(C)(C)I)S(=O)(=O)C=C.
What is the InChIKey of N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide?
The InChIKey is KOLBGIYTITYXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO4S2/c1-5-14(10,11)9(7(3,4)8)15(12,13)6-2/h5-6H,1-2H2,3-4H3.
What are the key properties of N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide?
N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide has a molecular weight of 365.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfonyl-N-(2-iodopropan-2-yl)ethenesulfonamide is sourced from PubChem (CID 129033387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).