3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

C10H17ClF3NO2S — CID 54877819

IUPAC3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17ClF3NO2S/c11-5-2-6-18(16,17)15-9-4-1-3-8(7-9)10(12,13)14/h8-9,15H,1-7H2
InChIKeyLNFJNDVREQGNDV-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.66
Rot. Bonds5

About 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 54877819) has the molecular formula C10H17ClF3NO2S and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID54877819
Molecular FormulaC10H17ClF3NO2S
Molecular Weight307.77 g/mol
Exact Mass307.06
IUPAC Name3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17ClF3NO2S/c11-5-2-6-18(16,17)15-9-4-1-3-8(7-9)10(12,13)14/h8-9,15H,1-7H2
InChIKeyLNFJNDVREQGNDV-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (CID 54877819) is 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is O=S(=O)(CCCCl)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is LNFJNDVREQGNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2S/c11-5-2-6-18(16,17)15-9-4-1-3-8(7-9)10(12,13)14/h8-9,15H,1-7H2.
What are the key properties of 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 307.77 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 54877819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).