N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide

C12H17IN2O2S — CID 66216683

IUPACN-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2O2S/c1-2-7-15(11-8-14-9-11)18(16,17)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3
InChIKeySALWRZVBONLKDR-UHFFFAOYSA-N
MW380.25 g/mol
LogP1.66
Rot. Bonds5

About N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide

N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide (PubChem CID 66216683) has the molecular formula C12H17IN2O2S and a molecular weight of 380.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
PubChem CID66216683
Molecular FormulaC12H17IN2O2S
Molecular Weight380.25 g/mol
Exact Mass380.01
IUPAC NameN-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2O2S/c1-2-7-15(11-8-14-9-11)18(16,17)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3
InChIKeySALWRZVBONLKDR-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(azetidin-3-yl)-N-ethyl-4-iodobenzenesulfonamide
CID 66183635
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-(azetidin-3-yl)-N-ethyl-4-methylsulfonylbenzenesulfonamide
CID 66184477
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 66214666
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 66216482
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-(azetidin-3-yl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103415221
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide (CID 66216683) is N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide is CCCN(C1CNC1)S(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide?
The InChIKey is SALWRZVBONLKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2S/c1-2-7-15(11-8-14-9-11)18(16,17)12-5-3-10(13)4-6-12/h3-6,11,14H,2,7-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide?
N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide has a molecular weight of 380.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide is sourced from PubChem (CID 66216683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).