N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C17H18INO2S — CID 100935731

IUPACN-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18INO2S/c1-13(2)12-19(16-8-6-15(18)7-9-16)22(20,21)17-10-4-14(3)5-11-17/h4-11H,1,12H2,2-3H3
InChIKeyZFQIFYSLTQRAPO-UHFFFAOYSA-N
MW427.31 g/mol
LogP4.37
Rot. Bonds5

About N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 100935731) has the molecular formula C17H18INO2S and a molecular weight of 427.31 g/mol. Its IUPAC name is N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID100935731
Molecular FormulaC17H18INO2S
Molecular Weight427.31 g/mol
Exact Mass427.01
IUPAC NameN-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H18INO2S/c1-13(2)12-19(16-8-6-15(18)7-9-16)22(20,21)17-10-4-14(3)5-11-17/h4-11H,1,12H2,2-3H3
InChIKeyZFQIFYSLTQRAPO-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 54.37
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

N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951
ethyl 2-(N-(4-bromophenyl)sulfonyl-4-iodoanilino)acetate
CID 50891070
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 4610141
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891255
2-(3-iodo-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50891265
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-diethylacetamide
CID 10409682
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)-N,N-bis(2-hydroxyethyl)acetamide
CID 10388987
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51345316
methyl 2-(N-(4-bromophenyl)sulfonyl-4-methylanilino)acetate
CID 50889812

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 100935731) is N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(c1ccc(I)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is ZFQIFYSLTQRAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INO2S/c1-13(2)12-19(16-8-6-15(18)7-9-16)22(20,21)17-10-4-14(3)5-11-17/h4-11H,1,12H2,2-3H3.
What are the key properties of N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 427.31 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 100935731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).