4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide

C24H21F6NO3S — CID 20704154

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1cccc(-c2ccccc2)c1)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H21F6NO3S/c1-16(2)31(20-10-6-9-18(15-20)17-7-4-3-5-8-17)35(33,34)21-13-11-19(12-14-21)22(32,23(25,26)27)24(28,29)30/h3-16,32H,1-2H3
InChIKeyDBHSEVHMQUSGAQ-UHFFFAOYSA-N
MW517.49 g/mol
LogP6.27
Rot. Bonds6

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 20704154) has the molecular formula C24H21F6NO3S and a molecular weight of 517.49 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide
PubChem CID20704154
Molecular FormulaC24H21F6NO3S
Molecular Weight517.49 g/mol
Exact Mass517.11
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1cccc(-c2ccccc2)c1)S(=O)(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H21F6NO3S/c1-16(2)31(20-10-6-9-18(15-20)17-7-4-3-5-8-17)35(33,34)21-13-11-19(12-14-21)22(32,23(25,26)27)24(28,29)30/h3-16,32H,1-2H3
InChIKeyDBHSEVHMQUSGAQ-UHFFFAOYSA-N
XLogP6.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.49
LogP ≤ 56.27
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-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide (CID 20704154) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide is CC(C)N(c1cccc(-c2ccccc2)c1)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-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DBHSEVHMQUSGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6NO3S/c1-16(2)31(20-10-6-9-18(15-20)17-7-4-3-5-8-17)35(33,34)21-13-11-19(12-14-21)22(32,23(25,26)27)24(28,29)30/h3-16,32H,1-2H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 517.49 g/mol, XLogP of 6.27, 6 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-(3-phenylphenyl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 20704154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).