N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide

C10H18F3NO2S — CID 82903551

IUPACN-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)7-4-8-17(15,16)14-9-5-2-1-3-6-9/h9,14H,1-8H2
InChIKeyPFQZVHFDMFASEL-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.58
Rot. Bonds5

About N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide

N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 82903551) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID82903551
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC NameN-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)7-4-8-17(15,16)14-9-5-2-1-3-6-9/h9,14H,1-8H2
InChIKeyPFQZVHFDMFASEL-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide (CID 82903551) is N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is PFQZVHFDMFASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c11-10(12,13)7-4-8-17(15,16)14-9-5-2-1-3-6-9/h9,14H,1-8H2.
What are the key properties of N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide?
N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 82903551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).