N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide

C15H16INO2S — CID 135004649

IUPACN-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO2S/c1-11-3-9-15(10-4-11)20(18,19)17-12(2)13-5-7-14(16)8-6-13/h3-10,12,17H,1-2H3
InChIKeyCLFOAQUXFCSECB-UHFFFAOYSA-N
MW401.27 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide

N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 135004649) has the molecular formula C15H16INO2S and a molecular weight of 401.27 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID135004649
Molecular FormulaC15H16INO2S
Molecular Weight401.27 g/mol
Exact Mass400.99
IUPAC NameN-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(I)cc2)cc1
InChIInChI=1S/C15H16INO2S/c1-11-3-9-15(10-4-11)20(18,19)17-12(2)13-5-7-14(16)8-6-13/h3-10,12,17H,1-2H3
InChIKeyCLFOAQUXFCSECB-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.27
LogP ≤ 53.64
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-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825
4-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814747
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
CID 81357180
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide
CID 101389487
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide (CID 135004649) is N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccc(I)cc2)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is CLFOAQUXFCSECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2S/c1-11-3-9-15(10-4-11)20(18,19)17-12(2)13-5-7-14(16)8-6-13/h3-10,12,17H,1-2H3.
What are the key properties of N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide?
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 401.27 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135004649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).