N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H19F3N2O2S — CID 83059853

IUPACN-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9-5-2-1-4-8(9)14/h8-9,15H,1-7,14H2
InChIKeySFBIATZJMLLQGR-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.52
Rot. Bonds5

About N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059853) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059853
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESNC1CCCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9-5-2-1-4-8(9)14/h8-9,15H,1-7,14H2
InChIKeySFBIATZJMLLQGR-UHFFFAOYSA-N
XLogP1.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059853) is N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is NC1CCCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is SFBIATZJMLLQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)6-3-7-18(16,17)15-9-5-2-1-4-8(9)14/h8-9,15H,1-7,14H2.
What are the key properties of N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).