4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide

C12H19IN2O2S — CID 130349628

IUPAC4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(C)CCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H19IN2O2S/c1-3-9-15(2)10-8-14-18(16,17)12-6-4-11(13)5-7-12/h4-7,14H,3,8-10H2,1-2H3
InChIKeySCTMZBSZQHKSTM-UHFFFAOYSA-N
MW382.27 g/mol
LogP1.91
Rot. Bonds7

About 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide

4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide (PubChem CID 130349628) has the molecular formula C12H19IN2O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
PubChem CID130349628
Molecular FormulaC12H19IN2O2S
Molecular Weight382.27 g/mol
Exact Mass382.02
IUPAC Name4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide
SMILESCCCN(C)CCNS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C12H19IN2O2S/c1-3-9-15(2)10-8-14-18(16,17)12-6-4-11(13)5-7-12/h4-7,14H,3,8-10H2,1-2H3
InChIKeySCTMZBSZQHKSTM-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-4-iodobenzenesulfonamide
CID 3562605
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-iodo-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62663707
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
4-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]benzoic acid
CID 62843991

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide (CID 130349628) is 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide is CCCN(C)CCNS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide?
The InChIKey is SCTMZBSZQHKSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2S/c1-3-9-15(2)10-8-14-18(16,17)12-6-4-11(13)5-7-12/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide?
4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide has a molecular weight of 382.27 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[2-[methyl(propyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 130349628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).