N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide

C10H20F3NO2S — CID 89281551

IUPACN-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-5-8-14(7-4-2)17(15,16)9-6-10(11,12)13/h3-9H2,1-2H3
InChIKeyPIOBQWYATIDAOE-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.78
Rot. Bonds8

About N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide

N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide (PubChem CID 89281551) has the molecular formula C10H20F3NO2S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
PubChem CID89281551
Molecular FormulaC10H20F3NO2S
Molecular Weight275.34 g/mol
Exact Mass275.12
IUPAC NameN-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
SMILESCCCCN(CCC)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO2S/c1-3-5-8-14(7-4-2)17(15,16)9-6-10(11,12)13/h3-9H2,1-2H3
InChIKeyPIOBQWYATIDAOE-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
The IUPAC name of N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide (CID 89281551) is N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide is CCCCN(CCC)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
The InChIKey is PIOBQWYATIDAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2S/c1-3-5-8-14(7-4-2)17(15,16)9-6-10(11,12)13/h3-9H2,1-2H3.
What are the key properties of N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide?
N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide has a molecular weight of 275.34 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 89281551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).