6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole

C24H13ClFNS — CID 168762965

IUPAC6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole
SMILESFc1ccc(Cl)cc1-c1cc2c3ccccc3sc2c2c1[nH]c1ccccc12
InChIInChI=1S/C24H13ClFNS/c25-13-9-10-19(26)16(11-13)17-12-18-14-5-2-4-8-21(14)28-24(18)22-15-6-1-3-7-20(15)27-23(17)22/h1-12,27H
InChIKeyFPQUGVVBIVPCAC-UHFFFAOYSA-N
MW401.89 g/mol
LogP8.15
Rot. Bonds1

About 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole

6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole (PubChem CID 168762965) has the molecular formula C24H13ClFNS and a molecular weight of 401.89 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole
PubChem CID168762965
Molecular FormulaC24H13ClFNS
Molecular Weight401.89 g/mol
Exact Mass401.04
IUPAC Name6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole
SMILESFc1ccc(Cl)cc1-c1cc2c3ccccc3sc2c2c1[nH]c1ccccc12
InChIInChI=1S/C24H13ClFNS/c25-13-9-10-19(26)16(11-13)17-12-18-14-5-2-4-8-21(14)28-24(18)22-15-6-1-3-7-20(15)27-23(17)22/h1-12,27H
InChIKeyFPQUGVVBIVPCAC-UHFFFAOYSA-N
XLogP8.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.89
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

10-chloro-5H-thiochromeno[2,3-c]quinoline-6,12-dione
CID 90646445
3-chloro-5,7-dihydroindolo[2,3-c]quinolin-6-one
CID 71560083
19-chloro-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90267086
7-chloro-3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene
CID 166846721
9,18-dithia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;ethane;methanethiol
CID 145055631
21-oxa-18-thia-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118201063
3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 135242913
4,6-dimethyl-5H-[1]benzothiolo[3,2-c]carbazole
CID 167093521
4-(4-chloro-2-phenylphenyl)dibenzothiophene
CID 139338092
5,6-didehydro-12H-[1]benzothiolo[2,3-a]carbazole
CID 167223609
3-thia-12,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 134361459
5-phenyl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 134182644

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole (CID 168762965) is 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole is Fc1ccc(Cl)cc1-c1cc2c3ccccc3sc2c2c1[nH]c1ccccc12.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is FPQUGVVBIVPCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClFNS/c25-13-9-10-19(26)16(11-13)17-12-18-14-5-2-4-8-21(14)28-24(18)22-15-6-1-3-7-20(15)27-23(17)22/h1-12,27H.
What are the key properties of 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole?
6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 401.89 g/mol, XLogP of 8.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-5H-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 168762965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).