1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one

C22H19FN2O4S — CID 148759428

IUPAC1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1
InChIInChI=1S/C22H19FN2O4S/c1-15-10-17(24-29-15)11-18(26)14-30(27,28)22-13-25(21-9-5-3-7-19(21)22)12-16-6-2-4-8-20(16)23/h2-10,13H,11-12,14H2,1H3
InChIKeyOGGICWUFJNUDAQ-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.71
Rot. Bonds7

About 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one

1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one (PubChem CID 148759428) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
PubChem CID148759428
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Name1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
SMILESCc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1
InChIInChI=1S/C22H19FN2O4S/c1-15-10-17(24-29-15)11-18(26)14-30(27,28)22-13-25(21-9-5-3-7-19(21)22)12-16-6-2-4-8-20(16)23/h2-10,13H,11-12,14H2,1H3
InChIKeyOGGICWUFJNUDAQ-UHFFFAOYSA-N
XLogP3.71
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?
The IUPAC name of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one (CID 148759428) is 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one.
What is the SMILES notation for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?
The canonical SMILES for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one is Cc1cc(CC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1.
What is the InChIKey of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?
The InChIKey is OGGICWUFJNUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c1-15-10-17(24-29-15)11-18(26)14-30(27,28)22-13-25(21-9-5-3-7-19(21)22)12-16-6-2-4-8-20(16)23/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one?
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one has a molecular weight of 426.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluorophenyl)methyl]indol-3-yl]sulfonyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one is sourced from PubChem (CID 148759428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).