N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide

C25H24F3NO3S — CID 4108810

IUPACN-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C25H24F3NO3S/c26-25(27,28)23-17-20(29-33(30,31)22-9-5-2-6-10-22)13-16-24(23)32-21-14-11-19(12-15-21)18-7-3-1-4-8-18/h2,5-6,9-18,29H,1,3-4,7-8H2
InChIKeyILMQKTNAVAINOP-UHFFFAOYSA-N
MW475.53 g/mol
LogP7.35
Rot. Bonds6

About N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide

N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 4108810) has the molecular formula C25H24F3NO3S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID4108810
Molecular FormulaC25H24F3NO3S
Molecular Weight475.53 g/mol
Exact Mass475.14
IUPAC NameN-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C25H24F3NO3S/c26-25(27,28)23-17-20(29-33(30,31)22-9-5-2-6-10-22)13-16-24(23)32-21-14-11-19(12-15-21)18-7-3-1-4-8-18/h2,5-6,9-18,29H,1,3-4,7-8H2
InChIKeyILMQKTNAVAINOP-UHFFFAOYSA-N
XLogP7.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 799154
N-(4-Phenoxyphenyl)-3-trifluoromethylbenzenesulfonamide
CID 21210483
4-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 4671033
3-cyano-4-(2-phenylphenoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 66905459
4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(oxy)]bis[3-(trifluoromethyl)aniline]
CID 19805072
4,4'-((1,1'-Biphenyl)-2,2'-diylbis(oxy))bis(3-(trifluoromethyl)aniline)
CID 101732427
N-[4-(benzyloxy)phenyl]-4-fluorobenzenesulfonamide
CID 1494482
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2741298
N-[3-(4-hydroxyphenyl)-4-methoxyphenyl]-4-methoxybenzenesulfonamide
CID 155568905
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
N-[4-(4-fluorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 2808364
N-(2-fluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
CID 146545930

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 4108810) is N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc(C3CCCCC3)cc2)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is ILMQKTNAVAINOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO3S/c26-25(27,28)23-17-20(29-33(30,31)22-9-5-2-6-10-22)13-16-24(23)32-21-14-11-19(12-15-21)18-7-3-1-4-8-18/h2,5-6,9-18,29H,1,3-4,7-8H2.
What are the key properties of N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 475.53 g/mol, XLogP of 7.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclohexylphenoxy)-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4108810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).