N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide

C18H17F6NO3S — CID 45281207

IUPACN-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17F6NO3S/c1-3-25(29(26,27)15-7-5-4-6-8-15)14-11-9-13(10-12-14)16(28-2,17(19,20)21)18(22,23)24/h4-12H,3H2,1-2H3
InChIKeyLFHUWPVSWDCHPV-UHFFFAOYSA-N
MW441.39 g/mol
LogP4.87
Rot. Bonds6

About N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide

N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide (PubChem CID 45281207) has the molecular formula C18H17F6NO3S and a molecular weight of 441.39 g/mol. Its IUPAC name is N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide
PubChem CID45281207
Molecular FormulaC18H17F6NO3S
Molecular Weight441.39 g/mol
Exact Mass441.08
IUPAC NameN-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide
SMILESCCN(c1ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17F6NO3S/c1-3-25(29(26,27)15-7-5-4-6-8-15)14-11-9-13(10-12-14)16(28-2,17(19,20)21)18(22,23)24/h4-12H,3H2,1-2H3
InChIKeyLFHUWPVSWDCHPV-UHFFFAOYSA-N
XLogP4.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropan-2-yl)phenyl]benzenesulfonamide
CID 45489655
tert-butyl 2-[2-[4-[benzenesulfonyl(ethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyacetate
CID 45489635
methyl 2-[4-[benzenesulfonyl(ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 2829556
2-[4-[benzenesulfonyl(ethyl)amino]phenoxy]acetic acid
CID 92649142
N-[4-(1,1,2,3,3,3-hexafluoro-2-hydroxypropyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 87929763
N-[4-(2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 127029953
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-nitrobenzenesulfonamide
CID 86686467
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
N-[4-(1,1,1,3,3,4,4,5,5,5-decafluoro-2-hydroxypentan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776340
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide (CID 45281207) is N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide is CCN(c1ccc(C(OC)(C(F)(F)F)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LFHUWPVSWDCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO3S/c1-3-25(29(26,27)15-7-5-4-6-8-15)14-11-9-13(10-12-14)16(28-2,17(19,20)21)18(22,23)24/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide?
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 441.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 45281207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).