N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide

C12H16INO2S — CID 46176793

IUPACN-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide
SMILESC=C(C)CCN(c1ccccc1I)S(C)(=O)=O
InChIInChI=1S/C12H16INO2S/c1-10(2)8-9-14(17(3,15)16)12-7-5-4-6-11(12)13/h4-7H,1,8-9H2,2-3H3
InChIKeyKSVRZWXUXWLLCN-UHFFFAOYSA-N
MW365.24 g/mol
LogP3.02
Rot. Bonds5

About N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide

N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide (PubChem CID 46176793) has the molecular formula C12H16INO2S and a molecular weight of 365.24 g/mol. Its IUPAC name is N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide
PubChem CID46176793
Molecular FormulaC12H16INO2S
Molecular Weight365.24 g/mol
Exact Mass364.99
IUPAC NameN-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide
SMILESC=C(C)CCN(c1ccccc1I)S(C)(=O)=O
InChIInChI=1S/C12H16INO2S/c1-10(2)8-9-14(17(3,15)16)12-7-5-4-6-11(12)13/h4-7H,1,8-9H2,2-3H3
InChIKeyKSVRZWXUXWLLCN-UHFFFAOYSA-N
XLogP3.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide?
The IUPAC name of N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide (CID 46176793) is N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide?
The canonical SMILES for N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide is C=C(C)CCN(c1ccccc1I)S(C)(=O)=O.
What is the InChIKey of N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide?
The InChIKey is KSVRZWXUXWLLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2S/c1-10(2)8-9-14(17(3,15)16)12-7-5-4-6-11(12)13/h4-7H,1,8-9H2,2-3H3.
What are the key properties of N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide?
N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide has a molecular weight of 365.24 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-N-(3-methylbut-3-enyl)methanesulfonamide is sourced from PubChem (CID 46176793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).