N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide

C13H14F3NO2S — CID 11544020

IUPACN-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1C=CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)10-6-8-12(9-7-10)20(18,19)17-11-4-2-1-3-5-11/h2,4,6-9,11,17H,1,3,5H2
InChIKeyRXFAONCOFSKLJQ-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.09
Rot. Bonds3

About N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide

N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 11544020) has the molecular formula C13H14F3NO2S and a molecular weight of 305.32 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID11544020
Molecular FormulaC13H14F3NO2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC NameN-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1C=CCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO2S/c14-13(15,16)10-6-8-12(9-7-10)20(18,19)17-11-4-2-1-3-5-11/h2,4,6-9,11,17H,1,3,5H2
InChIKeyRXFAONCOFSKLJQ-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide (CID 11544020) is N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1C=CCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RXFAONCOFSKLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2S/c14-13(15,16)10-6-8-12(9-7-10)20(18,19)17-11-4-2-1-3-5-11/h2,4,6-9,11,17H,1,3,5H2.
What are the key properties of N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide?
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 305.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11544020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).