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

C14H12F9NO3S — CID 72722948

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H12F9NO3S/c15-11(16,17)7-24(28(26,27)10-5-6-10)9-3-1-8(2-4-9)12(25,13(18,19)20)14(21,22)23/h1-4,10,25H,5-7H2
InChIKeyCEQRXBRVPWBNGW-UHFFFAOYSA-N
MW445.30 g/mol
LogP3.86
Rot. Bonds5

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide (PubChem CID 72722948) has the molecular formula C14H12F9NO3S and a molecular weight of 445.30 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
PubChem CID72722948
Molecular FormulaC14H12F9NO3S
Molecular Weight445.30 g/mol
Exact Mass445.04
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide
SMILESO=S(=O)(C1CC1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C14H12F9NO3S/c15-11(16,17)7-24(28(26,27)10-5-6-10)9-3-1-8(2-4-9)12(25,13(18,19)20)14(21,22)23/h1-4,10,25H,5-7H2
InChIKeyCEQRXBRVPWBNGW-UHFFFAOYSA-N
XLogP3.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide (CID 72722948) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide is O=S(=O)(C1CC1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
The InChIKey is CEQRXBRVPWBNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F9NO3S/c15-11(16,17)7-24(28(26,27)10-5-6-10)9-3-1-8(2-4-9)12(25,13(18,19)20)14(21,22)23/h1-4,10,25H,5-7H2.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide has a molecular weight of 445.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 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]-N-(2,2,2-trifluoroethyl)cyclopropanesulfonamide is sourced from PubChem (CID 72722948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).