N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide

C13H20BrClN2O2S — CID 106078934

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H20BrClN2O2S/c1-3-16-6-4-5-7-20(18,19)17-13-9-12(15)10(2)8-11(13)14/h8-9,16-17H,3-7H2,1-2H3
InChIKeyOQVMMRFXWYRVLJ-UHFFFAOYSA-N
MW383.74 g/mol
LogP3.54
Rot. Bonds8

About N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide

N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide (PubChem CID 106078934) has the molecular formula C13H20BrClN2O2S and a molecular weight of 383.74 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
PubChem CID106078934
Molecular FormulaC13H20BrClN2O2S
Molecular Weight383.74 g/mol
Exact Mass382.01
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
SMILESCCNCCCCS(=O)(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C13H20BrClN2O2S/c1-3-16-6-4-5-7-20(18,19)17-13-9-12(15)10(2)8-11(13)14/h8-9,16-17H,3-7H2,1-2H3
InChIKeyOQVMMRFXWYRVLJ-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(2-bromo-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106076580
N-(5-bromo-3-methyl-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106076772
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 104725034
N-(5-bromo-4-fluoro-2-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106087809
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
CID 104726640

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide (CID 106078934) is N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide is CCNCCCCS(=O)(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide?
The InChIKey is OQVMMRFXWYRVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2O2S/c1-3-16-6-4-5-7-20(18,19)17-13-9-12(15)10(2)8-11(13)14/h8-9,16-17H,3-7H2,1-2H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide?
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide has a molecular weight of 383.74 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide is sourced from PubChem (CID 106078934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).