N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide

C12H17F3N2O2S — CID 61349925

IUPACN-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c1-2-8-17(9-7-16)20(18,19)11-6-4-3-5-10(11)12(13,14)15/h3-6H,2,7-9,16H2,1H3
InChIKeyBDWKYOQVTUSOOM-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.06
Rot. Bonds6

About N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide

N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 61349925) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID61349925
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC NameN-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CCN)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H17F3N2O2S/c1-2-8-17(9-7-16)20(18,19)11-6-4-3-5-10(11)12(13,14)15/h3-6H,2,7-9,16H2,1H3
InChIKeyBDWKYOQVTUSOOM-UHFFFAOYSA-N
XLogP2.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-butyl-2-(trifluoromethyl)benzenesulfonamide
CID 80669345
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 43319450
4-(dipropylsulfamoyl)-3-(trifluoromethyl)benzoic acid
CID 154156894
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 62008042
2-amino-N,N-dipropylbenzenesulfonamide
CID 16783844
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
N-ethyl-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 78787053
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
ethyl 2-[2-methylpropyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 55663353
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 120895656
N-(1-chloropropan-2-yl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 104556465
N-(2-chloroethyl)-N-propyl-4-(trifluoromethyl)pyridine-3-sulfonamide
CID 143128434

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide (CID 61349925) is N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide is CCCN(CCN)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BDWKYOQVTUSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c1-2-8-17(9-7-16)20(18,19)11-6-4-3-5-10(11)12(13,14)15/h3-6H,2,7-9,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 310.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-propyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 61349925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).