4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide

C11H17IN2O2S — CID 62663692

IUPAC4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H17IN2O2S/c1-2-7-13-8-9-14-17(15,16)11-5-3-10(12)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyRGHYUNSTTBLXDU-UHFFFAOYSA-N
MW368.24 g/mol
LogP1.57
Rot. Bonds7

About 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide

4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 62663692) has the molecular formula C11H17IN2O2S and a molecular weight of 368.24 g/mol. Its IUPAC name is 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID62663692
Molecular FormulaC11H17IN2O2S
Molecular Weight368.24 g/mol
Exact Mass368.01
IUPAC Name4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C11H17IN2O2S/c1-2-7-13-8-9-14-17(15,16)11-5-3-10(12)4-6-11/h3-6,13-14H,2,7-9H2,1H3
InChIKeyRGHYUNSTTBLXDU-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715837
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715836
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
CID 130349628
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716186
N-[4-[2-(propylamino)ethylsulfamoyl]phenyl]propanamide
CID 120715921
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide (CID 62663692) is 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is RGHYUNSTTBLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O2S/c1-2-7-13-8-9-14-17(15,16)11-5-3-10(12)4-6-11/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide?
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 368.24 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 62663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).