N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide

C13H15F3N2O5S — CID 14771324

IUPACN-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)C(F)(F)F)c(OC2CCCCC2)c1
InChIInChI=1S/C13H15F3N2O5S/c14-13(15,16)24(21,22)17-11-7-6-9(18(19)20)8-12(11)23-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2
InChIKeyUOOGMFNBOWUBDO-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.57
Rot. Bonds5

About N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide

N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide (PubChem CID 14771324) has the molecular formula C13H15F3N2O5S and a molecular weight of 368.33 g/mol. Its IUPAC name is N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
PubChem CID14771324
Molecular FormulaC13H15F3N2O5S
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC NameN-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)C(F)(F)F)c(OC2CCCCC2)c1
InChIInChI=1S/C13H15F3N2O5S/c14-13(15,16)24(21,22)17-11-7-6-9(18(19)20)8-12(11)23-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2
InChIKeyUOOGMFNBOWUBDO-UHFFFAOYSA-N
XLogP3.57
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide;N-(2-cyclohexyloxy-4-nitrophenyl)-N-methylmethanesulfonamide
CID 158974603
N-(2-cyclohexyloxy-4-nitrophenyl)-4-(dimethylamino)benzamide
CID 141225851
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
N-(2-cyclohexyloxy-4-nitrophenyl)-4-propan-2-yloxybenzamide
CID 141225866
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
[2-(bromomethyl)-4-nitrophenoxy]cycloheptane
CID 82928848
N-[2-[(1R,2S)-2-methylcyclohexyl]oxy-4-nitrophenyl]methanesulfonamide
CID 14771311
5-nitro-2-(trifluoromethylsulfonylamino)benzoic acid
CID 63110787
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722
N-cyclopentyl-4-nitro-2-(trifluoromethyl)aniline
CID 54935524

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide (CID 14771324) is N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)C(F)(F)F)c(OC2CCCCC2)c1.
What is the InChIKey of N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide?
The InChIKey is UOOGMFNBOWUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O5S/c14-13(15,16)24(21,22)17-11-7-6-9(18(19)20)8-12(11)23-10-4-2-1-3-5-10/h6-8,10,17H,1-5H2.
What are the key properties of N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide?
N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide has a molecular weight of 368.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxy-4-nitrophenyl)-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14771324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).