4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide

C15H19F6NO3S — CID 166472515

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H19F6NO3S/c1-3-9-22(10-4-2)26(24,25)12-7-5-11(6-8-12)13(23,14(16,17)18)15(19,20)21/h5-8,23H,3-4,9-10H2,1-2H3
InChIKeyCCWOXBCAJPDHSG-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.81
Rot. Bonds7

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide (PubChem CID 166472515) has the molecular formula C15H19F6NO3S and a molecular weight of 407.38 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide
PubChem CID166472515
Molecular FormulaC15H19F6NO3S
Molecular Weight407.38 g/mol
Exact Mass407.10
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C15H19F6NO3S/c1-3-9-22(10-4-2)26(24,25)12-7-5-11(6-8-12)13(23,14(16,17)18)15(19,20)21/h5-8,23H,3-4,9-10H2,1-2H3
InChIKeyCCWOXBCAJPDHSG-UHFFFAOYSA-N
XLogP3.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide (CID 166472515) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is CCWOXBCAJPDHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F6NO3S/c1-3-9-22(10-4-2)26(24,25)12-7-5-11(6-8-12)13(23,14(16,17)18)15(19,20)21/h5-8,23H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 407.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 166472515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).