N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide

C11H14ClF3N2O2S — CID 63730766

IUPACN-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H14ClF3N2O2S/c1-2-7(16)6-17-20(18,19)8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,17H,2,6,16H2,1H3
InChIKeyUVZOVFQPASXEAO-UHFFFAOYSA-N
MW330.76 g/mol
LogP2.37
Rot. Bonds5

About N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide

N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 63730766) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID63730766
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC NameN-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H14ClF3N2O2S/c1-2-7(16)6-17-20(18,19)8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,17H,2,6,16H2,1H3
InChIKeyUVZOVFQPASXEAO-UHFFFAOYSA-N
XLogP2.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminobutyl)-4-chloro-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

N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63733158
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 63730766) is N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is CCC(N)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UVZOVFQPASXEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S/c1-2-7(16)6-17-20(18,19)8-3-4-10(12)9(5-8)11(13,14)15/h3-5,7,17H,2,6,16H2,1H3.
What are the key properties of N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 330.76 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 63730766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).