4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

C15H12ClF3N2O3S — CID 134260217

IUPAC4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(c1ccc(Nc2cncc(Cl)c2)c2c1C(O)CC2)C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O3S/c16-8-5-9(7-20-6-8)21-11-2-4-13(25(23,24)15(17,18)19)14-10(11)1-3-12(14)22/h2,4-7,12,21-22H,1,3H2
InChIKeyXABYOABLLIKFLK-UHFFFAOYSA-N
MW392.79 g/mol
LogP3.75
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 134260217) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID134260217
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC Name4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(c1ccc(Nc2cncc(Cl)c2)c2c1C(O)CC2)C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O3S/c16-8-5-9(7-20-6-8)21-11-2-4-13(25(23,24)15(17,18)19)14-10(11)1-3-12(14)22/h2,4-7,12,21-22H,1,3H2
InChIKeyXABYOABLLIKFLK-UHFFFAOYSA-N
XLogP3.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
5-[[2,2-difluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]amino]pyridine-3-carbonitrile
CID 134248611
4-piperidin-4-yloxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 134259172
3,5-dichloropyridine;trifluoromethanesulfonic acid
CID 171924151
5-[[(1S)-2,2-difluoro-1-hydroxy-7-[imino-methylidene-(trifluoromethyl)-λ6-sulfanyl]-1,3-dihydroinden-4-yl]amino]pyridine-3-carbonitrile
CID 145152937
5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-diamine
CID 104532239
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(5-chloro-3-pyridinyl)benzamide
CID 50913581
N-cyclopropyl-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109223746
(1R,2S)-6,8-difluoro-1-[(1S,2R)-2-fluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-4-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 160871698
5-[2,2-difluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]pyridine-3-carbonitrile
CID 155214927
2,2-difluoro-4-(5-isocyano-3-pyridinyl)-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 155627537
N-cyclopentyl-5-(2,5-dichloroanilino)pyridine-3-carboxamide
CID 109226051

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (CID 134260217) is 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is O=S(=O)(c1ccc(Nc2cncc(Cl)c2)c2c1C(O)CC2)C(F)(F)F.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is XABYOABLLIKFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c16-8-5-9(7-20-6-8)21-11-2-4-13(25(23,24)15(17,18)19)14-10(11)1-3-12(14)22/h2,4-7,12,21-22H,1,3H2.
What are the key properties of 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 392.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)amino]-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 134260217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).