N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C16H22F3NO3S — CID 90554922

IUPACN-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCOCC2)cc1
InChIInChI=1S/C16H22F3NO3S/c1-2-3-13-4-6-15(7-5-13)24(21,22)20(12-16(17,18)19)14-8-10-23-11-9-14/h4-7,14H,2-3,8-12H2,1H3
InChIKeyXRVAJMRMWMOZPP-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.37
Rot. Bonds6

About N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 90554922) has the molecular formula C16H22F3NO3S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID90554922
Molecular FormulaC16H22F3NO3S
Molecular Weight365.42 g/mol
Exact Mass365.13
IUPAC NameN-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCOCC2)cc1
InChIInChI=1S/C16H22F3NO3S/c1-2-3-13-4-6-15(7-5-13)24(21,22)20(12-16(17,18)19)14-8-10-23-11-9-14/h4-7,14H,2-3,8-12H2,1H3
InChIKeyXRVAJMRMWMOZPP-UHFFFAOYSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554887
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 90554867
4-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54983714
N-(2-bromoethyl)-N-cyclopropyl-4-propylbenzenesulfonamide
CID 80668225
N-(2-bromoethyl)-N-cyclobutyl-4-propylbenzenesulfonamide
CID 102873568
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 90554881
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 90554910
N-cyclopentyl-N-prop-2-enyl-4-propylbenzenesulfonamide
CID 3782584
N-methyl-N-[(3S)-oxolan-3-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 99859364
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
CID 90554912
4-chloro-N-[(4-methylsulfonylphenyl)methyl]-N-(oxan-4-yl)benzenesulfonamide
CID 71549300
4-[(4-fluorophenyl)methyl-(oxan-4-yl)sulfamoyl]benzoic acid
CID 167922314

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 90554922) is N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCOCC2)cc1.
What is the InChIKey of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is XRVAJMRMWMOZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3S/c1-2-3-13-4-6-15(7-5-13)24(21,22)20(12-16(17,18)19)14-8-10-23-11-9-14/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-4-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 90554922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).