11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

C22H14FNOS — CID 4892796

IUPAC11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2ccccc2F)c2ccccc21
InChIInChI=1S/C22H14FNOS/c23-16-10-4-3-9-15(16)22-19-20(13-7-1-2-8-14(13)21(19)25)24-17-11-5-6-12-18(17)26-22/h1-12,22,24H
InChIKeyCDAKPFQZGOQNRM-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.69
Rot. Bonds1

About 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (PubChem CID 4892796) has the molecular formula C22H14FNOS and a molecular weight of 359.43 g/mol. Its IUPAC name is 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.

Molecular Properties

Compound Name11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
PubChem CID4892796
Molecular FormulaC22H14FNOS
Molecular Weight359.43 g/mol
Exact Mass359.08
IUPAC Name11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
SMILESO=C1C2=C(Nc3ccccc3SC2c2ccccc2F)c2ccccc21
InChIInChI=1S/C22H14FNOS/c23-16-10-4-3-9-15(16)22-19-20(13-7-1-2-8-14(13)21(19)25)24-17-11-5-6-12-18(17)26-22/h1-12,22,24H
InChIKeyCDAKPFQZGOQNRM-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 2840397
C20H13Nos2
CID 2879007
6-(4-methylphenyl)-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-ol
CID 3702043
6-(4-isopropylphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one
CID 2911006
6-[4-(trifluoromethyl)phenyl]-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 2946813
4-fluoro-N-[2-(phenylthio)phenyl]benzamide
CID 847806
2-methyl-N-[2-(phenylsulfanyl)phenyl]benzamide
CID 848412
11-(4-Bromophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2840340
6-(4-propylphenyl)-6,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-5-one
CID 3716777
N-[4-(5-hydroxy-6H-benzo[b]indeno[1,2-e][1,4]thiazepin-6-yl)phenyl]acetamide
CID 4243321
11-(4-Tert-butylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one
CID 2904444
6-(4-chlorophenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one
CID 2915579

Frequently Asked Questions

What is the IUPAC name of 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The IUPAC name of 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one (CID 4892796) is 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one.
What is the SMILES notation for 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The canonical SMILES for 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is O=C1C2=C(Nc3ccccc3SC2c2ccccc2F)c2ccccc21.
What is the InChIKey of 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
The InChIKey is CDAKPFQZGOQNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNOS/c23-16-10-4-3-9-15(16)22-19-20(13-7-1-2-8-14(13)21(19)25)24-17-11-5-6-12-18(17)26-22/h1-12,22,24H.
What are the key properties of 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one?
11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one has a molecular weight of 359.43 g/mol, XLogP of 5.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-fluorophenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one is sourced from PubChem (CID 4892796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).