3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide

C12H19IN2O2S — CID 114258136

IUPAC3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C12H19IN2O2S/c1-3-14-7-4-8-18(16,17)15-11-6-5-10(2)12(13)9-11/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKeyAUMNGCMWTJEIEG-UHFFFAOYSA-N
MW382.27 g/mol
LogP2.34
Rot. Bonds7

About 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide

3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide (PubChem CID 114258136) has the molecular formula C12H19IN2O2S and a molecular weight of 382.27 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
PubChem CID114258136
Molecular FormulaC12H19IN2O2S
Molecular Weight382.27 g/mol
Exact Mass382.02
IUPAC Name3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C12H19IN2O2S/c1-3-14-7-4-8-18(16,17)15-11-6-5-10(2)12(13)9-11/h5-6,9,14-15H,3-4,7-8H2,1-2H3
InChIKeyAUMNGCMWTJEIEG-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 52.34
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

N-(4-tert-butylphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106057303
N-(3,4-dimethylphenyl)-2-(ethylamino)ethanesulfonamide
CID 54973592
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(4-chloro-3-methoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106087751
3-(ethylamino)-N-(5-methyl-3-pyridinyl)propane-1-sulfonamide
CID 106088035
N-[3-(dimethylamino)-4-methylphenyl]-2-(ethylamino)ethanesulfonamide
CID 115378312
N-(4-bromo-3-fluorophenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106067072
N-(3,4-dimethylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94688171
N-(3-fluoro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 107478266
N-(3-hydroxy-4-methylphenyl)butane-1-sulfonamide
CID 64794580
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458
3-(ethylamino)-N-(4-methoxy-2-methylphenyl)propane-1-sulfonamide
CID 106056028

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide (CID 114258136) is 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1ccc(C)c(I)c1.
What is the InChIKey of 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide?
The InChIKey is AUMNGCMWTJEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2S/c1-3-14-7-4-8-18(16,17)15-11-6-5-10(2)12(13)9-11/h5-6,9,14-15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide?
3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide has a molecular weight of 382.27 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-iodo-4-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 114258136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).