4-[1-(2-iodoanilino)ethyl]benzenesulfonamide

C14H15IN2O2S — CID 43773421

IUPAC4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1ccccc1I)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15IN2O2S/c1-10(17-14-5-3-2-4-13(14)15)11-6-8-12(9-7-11)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyZSDAIAJOBXEAHM-UHFFFAOYSA-N
MW402.26 g/mol
LogP3.11
Rot. Bonds4

About 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide

4-[1-(2-iodoanilino)ethyl]benzenesulfonamide (PubChem CID 43773421) has the molecular formula C14H15IN2O2S and a molecular weight of 402.26 g/mol. Its IUPAC name is 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
PubChem CID43773421
Molecular FormulaC14H15IN2O2S
Molecular Weight402.26 g/mol
Exact Mass401.99
IUPAC Name4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
SMILESCC(Nc1ccccc1I)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H15IN2O2S/c1-10(17-14-5-3-2-4-13(14)15)11-6-8-12(9-7-11)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19)
InChIKeyZSDAIAJOBXEAHM-UHFFFAOYSA-N
XLogP3.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-cyanoanilino)ethyl]benzenesulfonamide
CID 43227022
N-[1-(4-ethylphenyl)ethyl]-2-iodoaniline
CID 43124709
2-iodo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 43124751
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
1-(2-methylphenyl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 8684457
4-[1-(pyrrol-1-ylamino)ethyl]benzenesulfonamide
CID 79090299
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
4-[1-(2-iodoanilino)ethyl]-2-methoxyphenol
CID 43124744

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide (CID 43773421) is 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide is CC(Nc1ccccc1I)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide?
The InChIKey is ZSDAIAJOBXEAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O2S/c1-10(17-14-5-3-2-4-13(14)15)11-6-8-12(9-7-11)20(16,18)19/h2-10,17H,1H3,(H2,16,18,19).
What are the key properties of 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide?
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide has a molecular weight of 402.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-iodoanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43773421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).