N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C20H20Cl2F3NO3S — CID 164861811

IUPACN-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(c1cc(Cl)cc(Cl)c1)C1CCCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20Cl2F3NO3S/c21-15-10-14(11-16(22)12-15)19(13-4-2-1-3-5-13)26-30(27,28)18-8-6-17(7-9-18)29-20(23,24)25/h6-13,19,26H,1-5H2
InChIKeyVQOANOXQXKSMDF-UHFFFAOYSA-N
MW482.35 g/mol
LogP6.49
Rot. Bonds6

About N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164861811) has the molecular formula C20H20Cl2F3NO3S and a molecular weight of 482.35 g/mol. Its IUPAC name is N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164861811
Molecular FormulaC20H20Cl2F3NO3S
Molecular Weight482.35 g/mol
Exact Mass481.05
IUPAC NameN-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(c1cc(Cl)cc(Cl)c1)C1CCCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20Cl2F3NO3S/c21-15-10-14(11-16(22)12-15)19(13-4-2-1-3-5-13)26-30(27,28)18-8-6-17(7-9-18)29-20(23,24)25/h6-13,19,26H,1-5H2
InChIKeyVQOANOXQXKSMDF-UHFFFAOYSA-N
XLogP6.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.35
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862228
3-(3,5-dichlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 170430464
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
N-[(S)-(2-methylcyclopropyl)-phenylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861832
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862097
N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 170430331
methyl (2R)-2-(3,4-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetate
CID 171593332
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 146197513
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164861811) is N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC(c1cc(Cl)cc(Cl)c1)C1CCCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is VQOANOXQXKSMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2F3NO3S/c21-15-10-14(11-16(22)12-15)19(13-4-2-1-3-5-13)26-30(27,28)18-8-6-17(7-9-18)29-20(23,24)25/h6-13,19,26H,1-5H2.
What are the key properties of N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 482.35 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164861811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).