N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide

C15H14INO2S — CID 11383977

IUPACN-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccccc1S(=O)(=O)/N=I/c1ccccc1
InChIInChI=1S/C15H14INO2S/c1-2-8-13-9-6-7-12-15(13)20(18,19)17-16-14-10-4-3-5-11-14/h2-7,9-12H,1,8H2
InChIKeyZYYINBQOCXISIW-UHFFFAOYSA-N
MW399.25 g/mol
LogP4.13
Rot. Bonds5

About N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide

N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide (PubChem CID 11383977) has the molecular formula C15H14INO2S and a molecular weight of 399.25 g/mol. Its IUPAC name is N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide
PubChem CID11383977
Molecular FormulaC15H14INO2S
Molecular Weight399.25 g/mol
Exact Mass398.98
IUPAC NameN-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide
SMILESC=CCc1ccccc1S(=O)(=O)/N=I/c1ccccc1
InChIInChI=1S/C15H14INO2S/c1-2-8-13-9-6-7-12-15(13)20(18,19)17-16-14-10-4-3-5-11-14/h2-7,9-12H,1,8H2
InChIKeyZYYINBQOCXISIW-UHFFFAOYSA-N
XLogP4.13
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enylbenzenesulfonate;rubidium(1+)
CID 140773324
decakis(prop-1-ene);2-prop-2-enylbenzenesulfonic acid
CID 175179213
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
hydroxy-oxo-sulfanylphosphanium;2-prop-2-enylbenzenesulfonic acid
CID 174439222
prop-2-enamide;2-prop-2-enylbenzenesulfonic acid
CID 175173653
2-(2-hydroxyethylamino)ethanol;2-prop-2-enylbenzenesulfonic acid
CID 175295342
4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
CID 15325025
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
2-prop-2-enylbenzoic acid
CID 2752991
lithium (2-prop-2-enylphenyl)azanide
CID 22988539
sodium;benzenesulfonate;2-prop-2-enylphenol
CID 174320644

Frequently Asked Questions

What is the IUPAC name of N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide (CID 11383977) is N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide is C=CCc1ccccc1S(=O)(=O)/N=I/c1ccccc1.
What is the InChIKey of N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide?
The InChIKey is ZYYINBQOCXISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO2S/c1-2-8-13-9-6-7-12-15(13)20(18,19)17-16-14-10-4-3-5-11-14/h2-7,9-12H,1,8H2.
What are the key properties of N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide?
N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide has a molecular weight of 399.25 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(phenyl-lambda3-iodanylidene)-2-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11383977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).