N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide

C13H18F3NO2S — CID 21210253

IUPACN,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2S/c1-3-9-17(10-4-2)20(18,19)12-7-5-11(6-8-12)13(14,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYLZLQLKYXYHAQG-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.52
Rot. Bonds6

About N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide

N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 21210253) has the molecular formula C13H18F3NO2S and a molecular weight of 309.35 g/mol. Its IUPAC name is N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID21210253
Molecular FormulaC13H18F3NO2S
Molecular Weight309.35 g/mol
Exact Mass309.10
IUPAC NameN,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2S/c1-3-9-17(10-4-2)20(18,19)12-7-5-11(6-8-12)13(14,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyYLZLQLKYXYHAQG-UHFFFAOYSA-N
XLogP3.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide (CID 21210253) is N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YLZLQLKYXYHAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2S/c1-3-9-17(10-4-2)20(18,19)12-7-5-11(6-8-12)13(14,15)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide?
N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 309.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 21210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).