N-iodo-4-propylbenzenesulfonamide

C9H12INO2S — CID 143564822

IUPACN-iodo-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NI)cc1
InChIInChI=1S/C9H12INO2S/c1-2-3-8-4-6-9(7-5-8)14(12,13)11-10/h4-7,11H,2-3H2,1H3
InChIKeyCEXUOMIUSGUVRG-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.27
Rot. Bonds4

About N-iodo-4-propylbenzenesulfonamide

N-iodo-4-propylbenzenesulfonamide (PubChem CID 143564822) has the molecular formula C9H12INO2S and a molecular weight of 325.17 g/mol. Its IUPAC name is N-iodo-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-iodo-4-propylbenzenesulfonamide
PubChem CID143564822
Molecular FormulaC9H12INO2S
Molecular Weight325.17 g/mol
Exact Mass324.96
IUPAC NameN-iodo-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NI)cc1
InChIInChI=1S/C9H12INO2S/c1-2-3-8-4-6-9(7-5-8)14(12,13)11-10/h4-7,11H,2-3H2,1H3
InChIKeyCEXUOMIUSGUVRG-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-(2-methylbutan-2-yl)-4-propylbenzenesulfonamide
CID 19682071
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of N-iodo-4-propylbenzenesulfonamide?
The IUPAC name of N-iodo-4-propylbenzenesulfonamide (CID 143564822) is N-iodo-4-propylbenzenesulfonamide.
What is the SMILES notation for N-iodo-4-propylbenzenesulfonamide?
The canonical SMILES for N-iodo-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NI)cc1.
What is the InChIKey of N-iodo-4-propylbenzenesulfonamide?
The InChIKey is CEXUOMIUSGUVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO2S/c1-2-3-8-4-6-9(7-5-8)14(12,13)11-10/h4-7,11H,2-3H2,1H3.
What are the key properties of N-iodo-4-propylbenzenesulfonamide?
N-iodo-4-propylbenzenesulfonamide has a molecular weight of 325.17 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-4-propylbenzenesulfonamide is sourced from PubChem (CID 143564822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).