4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide

C12H16ClF3N2O2S — CID 43606545

IUPAC4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H16ClF3N2O2S/c1-2-17-6-3-7-18-21(19,20)9-4-5-11(13)10(8-9)12(14,15)16/h4-5,8,17-18H,2-3,6-7H2,1H3
InChIKeyWWYQTYVTASZXDD-UHFFFAOYSA-N
MW344.79 g/mol
LogP2.64
Rot. Bonds7

About 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 43606545) has the molecular formula C12H16ClF3N2O2S and a molecular weight of 344.79 g/mol. Its IUPAC name is 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID43606545
Molecular FormulaC12H16ClF3N2O2S
Molecular Weight344.79 g/mol
Exact Mass344.06
IUPAC Name4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCCNCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H16ClF3N2O2S/c1-2-17-6-3-7-18-21(19,20)9-4-5-11(13)10(8-9)12(14,15)16/h4-5,8,17-18H,2-3,6-7H2,1H3
InChIKeyWWYQTYVTASZXDD-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide 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

4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
N-tert-butyl-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78777743
4-chloro-N-(3-piperidin-1-ium-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 8823983
4-chloro-N-[2-(cyclopropylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 62665527
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55520974
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)benzenesulfonamide
CID 8716905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 43606545) is 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide is CCNCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WWYQTYVTASZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O2S/c1-2-17-6-3-7-18-21(19,20)9-4-5-11(13)10(8-9)12(14,15)16/h4-5,8,17-18H,2-3,6-7H2,1H3.
What are the key properties of 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 344.79 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43606545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).