4-ethyl-N-(4-iodophenyl)benzenesulfonamide

C14H14INO2S — CID 1305687

IUPAC4-ethyl-N-(4-iodophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C14H14INO2S/c1-2-11-3-9-14(10-4-11)19(17,18)16-13-7-5-12(15)6-8-13/h3-10,16H,2H2,1H3
InChIKeyJVAHFAPQXLQOGU-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.65
Rot. Bonds4

About 4-ethyl-N-(4-iodophenyl)benzenesulfonamide

4-ethyl-N-(4-iodophenyl)benzenesulfonamide (PubChem CID 1305687) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is 4-ethyl-N-(4-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(4-iodophenyl)benzenesulfonamide
PubChem CID1305687
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC Name4-ethyl-N-(4-iodophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C14H14INO2S/c1-2-11-3-9-14(10-4-11)19(17,18)16-13-7-5-12(15)6-8-13/h3-10,16H,2H2,1H3
InChIKeyJVAHFAPQXLQOGU-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.65
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-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
4-(2-chloroethyl)-N-(4-ethylphenyl)benzenesulfonamide
CID 28719478
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
CID 22774107
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
2-[4-[(4-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185293
4-(3-aminopropyl)-N-(4-iodophenyl)benzenesulfonamide
CID 106029613
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-iodophenyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(4-iodophenyl)benzenesulfonamide (CID 1305687) is 4-ethyl-N-(4-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(4-iodophenyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(4-iodophenyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-iodophenyl)benzenesulfonamide?
The InChIKey is JVAHFAPQXLQOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c1-2-11-3-9-14(10-4-11)19(17,18)16-13-7-5-12(15)6-8-13/h3-10,16H,2H2,1H3.
What are the key properties of 4-ethyl-N-(4-iodophenyl)benzenesulfonamide?
4-ethyl-N-(4-iodophenyl)benzenesulfonamide has a molecular weight of 387.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 1305687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).