N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C9H18F3NO2S — CID 64586486

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)CC
InChIInChI=1S/C9H18F3NO2S/c1-4-8(5-2)13(7-9(10,11)12)16(14,15)6-3/h8H,4-7H2,1-3H3
InChIKeyQNSVDLHPTHQVJX-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.39
Rot. Bonds6

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 64586486) has the molecular formula C9H18F3NO2S and a molecular weight of 261.31 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID64586486
Molecular FormulaC9H18F3NO2S
Molecular Weight261.31 g/mol
Exact Mass261.10
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)CC
InChIInChI=1S/C9H18F3NO2S/c1-4-8(5-2)13(7-9(10,11)12)16(14,15)6-3/h8H,4-7H2,1-3H3
InChIKeyQNSVDLHPTHQVJX-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 64586486) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)CC.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is QNSVDLHPTHQVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2S/c1-4-8(5-2)13(7-9(10,11)12)16(14,15)6-3/h8H,4-7H2,1-3H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 261.31 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 64586486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).