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

C17H15F6NO3S — CID 1206091

IUPACN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F6NO3S/c1-11-3-9-14(10-4-11)28(26,27)24(2)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-10,25H,1-2H3
InChIKeyOJFMUQSBPCFBCM-UHFFFAOYSA-N
MW427.37 g/mol
LogP4.13
Rot. Bonds4

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

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 1206091) has the molecular formula C17H15F6NO3S and a molecular weight of 427.37 g/mol. Its IUPAC name is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID1206091
Molecular FormulaC17H15F6NO3S
Molecular Weight427.37 g/mol
Exact Mass427.07
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F6NO3S/c1-11-3-9-14(10-4-11)28(26,27)24(2)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-10,25H,1-2H3
InChIKeyOJFMUQSBPCFBCM-UHFFFAOYSA-N
XLogP4.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 54.13
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,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide (CID 1206091) is N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is OJFMUQSBPCFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO3S/c1-11-3-9-14(10-4-11)28(26,27)24(2)13-7-5-12(6-8-13)15(25,16(18,19)20)17(21,22)23/h3-10,25H,1-2H3.
What are the key properties of N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide?
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 427.37 g/mol, XLogP of 4.13, 4 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,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1206091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).