(2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C20H15ClF3NO3S — CID 70655625

IUPAC(2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)nc1)C(F)(F)F
InChIInChI=1S/C20H15ClF3NO3S/c1-19(26,20(22,23)24)14-8-9-17(25-12-14)13-7-10-18(16(21)11-13)29(27,28)15-5-3-2-4-6-15/h2-12,26H,1H3/t19-/m0/s1
InChIKeyFZBLIUNKFLHHSW-IBGZPJMESA-N
MW441.86 g/mol
LogP5.00
Rot. Bonds4

About (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 70655625) has the molecular formula C20H15ClF3NO3S and a molecular weight of 441.86 g/mol. Its IUPAC name is (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID70655625
Molecular FormulaC20H15ClF3NO3S
Molecular Weight441.86 g/mol
Exact Mass441.04
IUPAC Name(2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)nc1)C(F)(F)F
InChIInChI=1S/C20H15ClF3NO3S/c1-19(26,20(22,23)24)14-8-9-17(25-12-14)13-7-10-18(16(21)11-13)29(27,28)15-5-3-2-4-6-15/h2-12,26H,1H3/t19-/m0/s1
InChIKeyFZBLIUNKFLHHSW-IBGZPJMESA-N
XLogP5.00
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.86
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 70655625) is (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccccc3)c(Cl)c2)nc1)C(F)(F)F.
What is the InChIKey of (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FZBLIUNKFLHHSW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H15ClF3NO3S/c1-19(26,20(22,23)24)14-8-9-17(25-12-14)13-7-10-18(16(21)11-13)29(27,28)15-5-3-2-4-6-15/h2-12,26H,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 441.86 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[6-[4-(benzenesulfonyl)-3-chlorophenyl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 70655625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).