4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide

C12H17Cl3N2O2S — CID 106057705

IUPAC4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl3N2O2S/c1-2-16-5-3-4-6-20(18,19)17-12-8-10(14)9(13)7-11(12)15/h7-8,16-17H,2-6H2,1H3
InChIKeyQSDFEPCSKYWYEA-UHFFFAOYSA-N
MW359.71 g/mol
LogP3.78
Rot. Bonds8

About 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide

4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide (PubChem CID 106057705) has the molecular formula C12H17Cl3N2O2S and a molecular weight of 359.71 g/mol. Its IUPAC name is 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
PubChem CID106057705
Molecular FormulaC12H17Cl3N2O2S
Molecular Weight359.71 g/mol
Exact Mass358.01
IUPAC Name4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H17Cl3N2O2S/c1-2-16-5-3-4-6-20(18,19)17-12-8-10(14)9(13)7-11(12)15/h7-8,16-17H,2-6H2,1H3
InChIKeyQSDFEPCSKYWYEA-UHFFFAOYSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
2-(propylamino)-N-(2,4,5-trichlorophenyl)ethanesulfonamide
CID 106057734
N-(2-chloro-4-fluorophenyl)-4-(propylamino)butane-1-sulfonamide
CID 106029185
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
N-(2-chloro-5-iodophenyl)-2-(ethylamino)ethanesulfonamide
CID 114260649
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
4-(ethylamino)-N-(4-fluoro-2-iodophenyl)butane-1-sulfonamide
CID 106071458
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(3,5-dimethoxyphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106058751
4-(ethylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069514
4-(ethylamino)-N-(2-propan-2-ylphenyl)butane-1-sulfonamide
CID 106057914
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide?
The IUPAC name of 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide (CID 106057705) is 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide?
The InChIKey is QSDFEPCSKYWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl3N2O2S/c1-2-16-5-3-4-6-20(18,19)17-12-8-10(14)9(13)7-11(12)15/h7-8,16-17H,2-6H2,1H3.
What are the key properties of 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide?
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide has a molecular weight of 359.71 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide is sourced from PubChem (CID 106057705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).