N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide

C22H26F3NO3S — CID 123764339

IUPACN-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(COC2CCCCC2)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3NO3S/c1-2-26(30(27,28)21-13-7-9-18(15-21)22(23,24)25)19-10-6-8-17(14-19)16-29-20-11-4-3-5-12-20/h6-10,13-15,20H,2-5,11-12,16H2,1H3
InChIKeyHNIHDBDYYJDEFY-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.77
Rot. Bonds7

About N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide

N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 123764339) has the molecular formula C22H26F3NO3S and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID123764339
Molecular FormulaC22H26F3NO3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC NameN-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(COC2CCCCC2)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3NO3S/c1-2-26(30(27,28)21-13-7-9-18(15-21)22(23,24)25)19-10-6-8-17(14-19)16-29-20-11-4-3-5-12-20/h6-10,13-15,20H,2-5,11-12,16H2,1H3
InChIKeyHNIHDBDYYJDEFY-UHFFFAOYSA-N
XLogP5.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 123979056
N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 130192949
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-benzylamino]-N-cyclohexylbutanamide
CID 132638242
N-(3-cyclopentyloxypropyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30215284
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
N-[3-[2-(2-chloro-6-fluorophenyl)ethoxy]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123304968
3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 79465808
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-[benzyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 98418982
(2R)-2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-benzylamino]-N-cyclohexyl-3-phenylpropanamide
CID 125088044
N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
CID 56787557

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide (CID 123764339) is N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide is CCN(c1cccc(COC2CCCCC2)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HNIHDBDYYJDEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO3S/c1-2-26(30(27,28)21-13-7-9-18(15-21)22(23,24)25)19-10-6-8-17(14-19)16-29-20-11-4-3-5-12-20/h6-10,13-15,20H,2-5,11-12,16H2,1H3.
What are the key properties of N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 441.52 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123764339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).