N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide

C13H17F3N2O2S — CID 43136978

IUPACN-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-1-2-5-12(11)21(19,20)18(9-3-8-17)10-6-7-10/h1-2,4-5,10H,3,6-9,17H2
InChIKeyQWJAHRQQBWSTLF-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.21
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide

N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 43136978) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID43136978
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
SMILESNCCCN(C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-1-2-5-12(11)21(19,20)18(9-3-8-17)10-6-7-10/h1-2,4-5,10H,3,6-9,17H2
InChIKeyQWJAHRQQBWSTLF-UHFFFAOYSA-N
XLogP2.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide (CID 43136978) is N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide is NCCCN(C1CC1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QWJAHRQQBWSTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-1-2-5-12(11)21(19,20)18(9-3-8-17)10-6-7-10/h1-2,4-5,10H,3,6-9,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43136978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).