N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C15H18F3NO3S — CID 18281751

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)22-13-6-8-14(9-7-13)23(20,21)19-11-10-12-4-2-1-3-5-12/h4,6-9,19H,1-3,5,10-11H2
InChIKeyHWKCOXGRDBJCBW-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 18281751) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID18281751
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)22-13-6-8-14(9-7-13)23(20,21)19-11-10-12-4-2-1-3-5-12/h4,6-9,19H,1-3,5,10-11H2
InChIKeyHWKCOXGRDBJCBW-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 18281751) is N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCC1=CCCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is HWKCOXGRDBJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)22-13-6-8-14(9-7-13)23(20,21)19-11-10-12-4-2-1-3-5-12/h4,6-9,19H,1-3,5,10-11H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 18281751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).