N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide

C17H21F6NO4S — CID 141068066

IUPACN-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C17H21F6NO4S/c18-16(19,20)10-27-13-6-7-14(28-11-17(21,22)23)15(8-13)29(25,26)24-9-12-4-2-1-3-5-12/h6-8,12,24H,1-5,9-11H2
InChIKeyOFANMYXTMMKSFS-UHFFFAOYSA-N
MW449.41 g/mol
LogP4.43
Rot. Bonds8

About N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide

N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 141068066) has the molecular formula C17H21F6NO4S and a molecular weight of 449.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID141068066
Molecular FormulaC17H21F6NO4S
Molecular Weight449.41 g/mol
Exact Mass449.11
IUPAC NameN-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C17H21F6NO4S/c18-16(19,20)10-27-13-6-7-14(28-11-17(21,22)23)15(8-13)29(25,26)24-9-12-4-2-1-3-5-12/h6-8,12,24H,1-5,9-11H2
InChIKeyOFANMYXTMMKSFS-UHFFFAOYSA-N
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3751646
2,5-bis(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3863989
methane;N-[[4-[[[4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 159709735
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
N-(2-bromo-4-fluorophenyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3738107
ethyl 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidine-3-carboxylate
CID 3732407
N-[4-(diethoxyphosphorylmethyl)phenyl]-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 3870578
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
CID 1491489
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]sulfonyl-4-(2-methoxyphenyl)piperidine
CID 3688878
N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 141068066) is N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide is O=S(=O)(NCC1CCCCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is OFANMYXTMMKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F6NO4S/c18-16(19,20)10-27-13-6-7-14(28-11-17(21,22)23)15(8-13)29(25,26)24-9-12-4-2-1-3-5-12/h6-8,12,24H,1-5,9-11H2.
What are the key properties of N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide?
N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 449.41 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 141068066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).