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

C15H11F6NO3S — CID 1186353

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F6NO3S/c16-14(17,18)13(23,15(19,20)21)10-6-8-11(9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,22-23H
InChIKeyHTCRJPLMWKJJNZ-UHFFFAOYSA-N
MW399.31 g/mol
LogP3.80
Rot. Bonds4

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide (PubChem CID 1186353) has the molecular formula C15H11F6NO3S and a molecular weight of 399.31 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
PubChem CID1186353
Molecular FormulaC15H11F6NO3S
Molecular Weight399.31 g/mol
Exact Mass399.04
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H11F6NO3S/c16-14(17,18)13(23,15(19,20)21)10-6-8-11(9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,22-23H
InChIKeyHTCRJPLMWKJJNZ-UHFFFAOYSA-N
XLogP3.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-Trifluoroethyl)-N-(4-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)phenyl)-benzenesulfonamide
CID 447912
SR3335
CID 2360837
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
N-[4-(1,1,1,3,3,3-Hexafluoro-2-Hydroxypropan-2-Yl)phenyl]-N-Methylbenzenesulfonamide
CID 10112384
N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776332
N-[4-(1-cyclohexyl-2,2,2-trifluoro-1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 16072077
N-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776333
N-[4-(1,1,1-trifluoro-2-hydroxypentan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776334
N-[4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 24776338
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
4-tert-butyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 44237404
N,4-dimethyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide
CID 1206091

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide (CID 1186353) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is HTCRJPLMWKJJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO3S/c16-14(17,18)13(23,15(19,20)21)10-6-8-11(9-7-10)22-26(24,25)12-4-2-1-3-5-12/h1-9,22-23H.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 399.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1186353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).