N-(4-iodo-3-methylphenyl)ethanesulfonamide

C9H12INO2S — CID 57319537

IUPACN-(4-iodo-3-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(I)c(C)c1
InChIInChI=1S/C9H12INO2S/c1-3-14(12,13)11-8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKeyPSALETDFWHVRBM-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.36
Rot. Bonds3

About N-(4-iodo-3-methylphenyl)ethanesulfonamide

N-(4-iodo-3-methylphenyl)ethanesulfonamide (PubChem CID 57319537) has the molecular formula C9H12INO2S and a molecular weight of 325.17 g/mol. Its IUPAC name is N-(4-iodo-3-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-iodo-3-methylphenyl)ethanesulfonamide
PubChem CID57319537
Molecular FormulaC9H12INO2S
Molecular Weight325.17 g/mol
Exact Mass324.96
IUPAC NameN-(4-iodo-3-methylphenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(I)c(C)c1
InChIInChI=1S/C9H12INO2S/c1-3-14(12,13)11-8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKeyPSALETDFWHVRBM-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
N-(3-methyl-4-nitrophenyl)ethanesulfonamide
CID 64584965
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
CID 174697656
CID 174697656
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
CID 114258136
N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
CID 110732607
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-methylphenyl)ethanesulfonamide?
The IUPAC name of N-(4-iodo-3-methylphenyl)ethanesulfonamide (CID 57319537) is N-(4-iodo-3-methylphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-iodo-3-methylphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-iodo-3-methylphenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(I)c(C)c1.
What is the InChIKey of N-(4-iodo-3-methylphenyl)ethanesulfonamide?
The InChIKey is PSALETDFWHVRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2S/c1-3-14(12,13)11-8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3.
What are the key properties of N-(4-iodo-3-methylphenyl)ethanesulfonamide?
N-(4-iodo-3-methylphenyl)ethanesulfonamide has a molecular weight of 325.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 57319537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).