(2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol

C20H17F3N2O3S — CID 66582902

IUPAC(2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C20H17F3N2O3S/c1-19(26,20(21,22)23)15-6-2-13(3-7-15)14-4-8-16(9-5-14)29(27,28)17-10-11-18(24)25-12-17/h2-12,26H,1H3,(H2,24,25)/t19-/m0/s1
InChIKeyXOWBHNIRCZERRH-IBGZPJMESA-N
MW422.43 g/mol
LogP3.93
Rot. Bonds4

About (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol

(2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 66582902) has the molecular formula C20H17F3N2O3S and a molecular weight of 422.43 g/mol. Its IUPAC name is (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID66582902
Molecular FormulaC20H17F3N2O3S
Molecular Weight422.43 g/mol
Exact Mass422.09
IUPAC Name(2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cc2)cc1)C(F)(F)F
InChIInChI=1S/C20H17F3N2O3S/c1-19(26,20(21,22)23)15-6-2-13(3-7-15)14-4-8-16(9-5-14)29(27,28)17-10-11-18(24)25-12-17/h2-12,26H,1H3,(H2,24,25)/t19-/m0/s1
InChIKeyXOWBHNIRCZERRH-IBGZPJMESA-N
XLogP3.93
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 66582902) is (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol is C[C@](O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)cc2)cc1)C(F)(F)F.
What is the InChIKey of (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is XOWBHNIRCZERRH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H17F3N2O3S/c1-19(26,20(21,22)23)15-6-2-13(3-7-15)14-4-8-16(9-5-14)29(27,28)17-10-11-18(24)25-12-17/h2-12,26H,1H3,(H2,24,25)/t19-/m0/s1.
What are the key properties of (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 422.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]phenyl]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 66582902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).