4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C12H17IN2O3S — CID 2294442

IUPAC4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2O3S/c13-11-1-3-12(4-2-11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10H2
InChIKeyGIRAKQBBPBYUBM-UHFFFAOYSA-N
MW396.25 g/mol
LogP0.90
Rot. Bonds5

About 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 2294442) has the molecular formula C12H17IN2O3S and a molecular weight of 396.25 g/mol. Its IUPAC name is 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID2294442
Molecular FormulaC12H17IN2O3S
Molecular Weight396.25 g/mol
Exact Mass396.00
IUPAC Name4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(I)cc1
InChIInChI=1S/C12H17IN2O3S/c13-11-1-3-12(4-2-11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10H2
InChIKeyGIRAKQBBPBYUBM-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(Phenylsulfonyl)piperazin-1-yl)ethanol
CID 668789
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-(Phenylsulfonyl)morpholine
CID 95050
N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
4-Iodo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 10023529
N-(2-Diethylamino-ethyl)-4-iodo-benzenesulfonamide
CID 10833752
N-[1,1-dimethyl-2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 869890
N-[2-(benzenesulfonamido)ethyl]-2-morpholin-4-ylacetamide
CID 2186538
Benzene-1,4-disulfonic acid 1-dimethylamide 4-[(2-morpholin-4-yl-ethyl)-amide]
CID 23724415
N-[2-(benzenesulfonamido)ethyl]morpholine-4-carboxamide
CID 2059172
N-(3-morpholinopropyl)benzenesulfonamide
CID 262189
2-[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanol;hydrochloride
CID 45479736

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 2294442) is 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is GIRAKQBBPBYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O3S/c13-11-1-3-12(4-2-11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10H2.
What are the key properties of 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 396.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2294442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).