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

C10H12ClF3N2O2S — CID 63733158

IUPACN-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H12ClF3N2O2S/c1-6(15)5-16-19(17,18)7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,16H,5,15H2,1H3
InChIKeyURHNEEJBCCUBQD-UHFFFAOYSA-N
MW316.73 g/mol
LogP1.98
Rot. Bonds4

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

N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 63733158) has the molecular formula C10H12ClF3N2O2S and a molecular weight of 316.73 g/mol. Its IUPAC name is N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID63733158
Molecular FormulaC10H12ClF3N2O2S
Molecular Weight316.73 g/mol
Exact Mass316.03
IUPAC NameN-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(N)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H12ClF3N2O2S/c1-6(15)5-16-19(17,18)7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,16H,5,15H2,1H3
InChIKeyURHNEEJBCCUBQD-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.73
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 63730766
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
4-chloro-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 2443168
4-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 55735133
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
4-chloro-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 65113160
4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55352604
[(1S)-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2468113
4-chloro-N-[3-(ethylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 43606545
4-chloro-N-[(E)-pent-3-enyl]-3-(trifluoromethyl)benzenesulfonamide
CID 115628739
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 3270164

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 63733158) is N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is CC(N)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is URHNEEJBCCUBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2S/c1-6(15)5-16-19(17,18)7-2-3-9(11)8(4-7)10(12,13)14/h2-4,6,16H,5,15H2,1H3.
What are the key properties of N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 316.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 63733158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).