2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

C18H17F3O3S — CID 52943645

IUPAC2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccccc2C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C18H17F3O3S/c1-17(22,18(19,20)21)13-8-10-14(11-9-13)25(23,24)16-5-3-2-4-15(16)12-6-7-12/h2-5,8-12,22H,6-7H2,1H3
InChIKeyOXRBPNUVVBGCFO-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.17
Rot. Bonds4

About 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 52943645) has the molecular formula C18H17F3O3S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID52943645
Molecular FormulaC18H17F3O3S
Molecular Weight370.39 g/mol
Exact Mass370.09
IUPAC Name2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccccc2C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C18H17F3O3S/c1-17(22,18(19,20)21)13-8-10-14(11-9-13)25(23,24)16-5-3-2-4-15(16)12-6-7-12/h2-5,8-12,22H,6-7H2,1H3
InChIKeyOXRBPNUVVBGCFO-UHFFFAOYSA-N
XLogP4.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 52943645) is 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(S(=O)(=O)c2ccccc2C2CC2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OXRBPNUVVBGCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3S/c1-17(22,18(19,20)21)13-8-10-14(11-9-13)25(23,24)16-5-3-2-4-15(16)12-6-7-12/h2-5,8-12,22H,6-7H2,1H3.
What are the key properties of 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 370.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 52943645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).