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

C19H19F3O3S — CID 59753136

IUPAC2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccccc2CC2CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H19F3O3S/c1-18(23,19(20,21)22)15-8-10-16(11-9-15)26(24,25)17-5-3-2-4-14(17)12-13-6-7-13/h2-5,8-11,13,23H,6-7,12H2,1H3
InChIKeyKSZHVZYXODQANR-UHFFFAOYSA-N
MW384.42 g/mol
LogP4.24
Rot. Bonds5

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

2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 59753136) has the molecular formula C19H19F3O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID59753136
Molecular FormulaC19H19F3O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(S(=O)(=O)c2ccccc2CC2CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H19F3O3S/c1-18(23,19(20,21)22)15-8-10-16(11-9-15)26(24,25)17-5-3-2-4-14(17)12-13-6-7-13/h2-5,8-11,13,23H,6-7,12H2,1H3
InChIKeyKSZHVZYXODQANR-UHFFFAOYSA-N
XLogP4.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 11617401
1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
1,1,1-trifluoro-2-(4-piperidin-1-ylsulfonylphenyl)propan-2-ol
CID 11681587
1,1,1-trifluoro-2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]propan-2-ol
CID 11501806
4-cyclopropyl-5-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonyl-1,3-thiazole-2-carbonitrile
CID 11582140
2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 11567186
2-chloro-N-(2-methylpropyl)-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 70692271
2-[4-[4-(benzenesulfonyl)-2-(oxan-4-ylmethyl)piperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 56932321
2-[4-[(2S)-2-[(cyclopropylmethylamino)methyl]-4-(2-sulfanylphenyl)sulfonylpiperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 123727778
N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 12000645
2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetic acid
CID 115046288
2-[4-[2-chloro-4-(1,3-thiazol-2-yl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
CID 59753149

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 59753136) is 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(S(=O)(=O)c2ccccc2CC2CC2)cc1)C(F)(F)F.
What is the InChIKey of 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is KSZHVZYXODQANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O3S/c1-18(23,19(20,21)22)15-8-10-16(11-9-15)26(24,25)17-5-3-2-4-14(17)12-13-6-7-13/h2-5,8-11,13,23H,6-7,12H2,1H3.
What are the key properties of 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 384.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 59753136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).