4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole

C18H8Br2F2N2S — CID 132509972

IUPAC4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
SMILESFc1c(F)c(-c2ccc(Br)cc2)c2nsnc2c1-c1ccc(Br)cc1
InChIInChI=1S/C18H8Br2F2N2S/c19-11-5-1-9(2-6-11)13-15(21)16(22)14(18-17(13)23-25-24-18)10-3-7-12(20)8-4-10/h1-8H
InChIKeyHYCLHUVHLHINQR-UHFFFAOYSA-N
MW482.15 g/mol
LogP6.83
Rot. Bonds2

About 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole

4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole (PubChem CID 132509972) has the molecular formula C18H8Br2F2N2S and a molecular weight of 482.15 g/mol. Its IUPAC name is 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
PubChem CID132509972
Molecular FormulaC18H8Br2F2N2S
Molecular Weight482.15 g/mol
Exact Mass479.87
IUPAC Name4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
SMILESFc1c(F)c(-c2ccc(Br)cc2)c2nsnc2c1-c1ccc(Br)cc1
InChIInChI=1S/C18H8Br2F2N2S/c19-11-5-1-9(2-6-11)13-15(21)16(22)14(18-17(13)23-25-24-18)10-3-7-12(20)8-4-10/h1-8H
InChIKeyHYCLHUVHLHINQR-UHFFFAOYSA-N
XLogP6.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.15
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5,6-difluoro-7-thiophen-3-yl-2,1,3-benzothiadiazole
CID 102333705
4-bromo-5-chloro-6-fluoro-7-phenyl-2,1,3-benzothiadiazole
CID 170016840
4-bromo-7-(2-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole
CID 151920251
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1,4-bis(4-bromophenyl)-2,3,5,6-tetrakis(4-methylphenyl)benzene
CID 132604288
6,7-diphenyl-4,9-bis[4-(4-phenylphenyl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 139352086
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
7,8,19,20,36,37,40,41-octafluoro-13,38-dimethoxy-29-thia-28,30-diazaoctacyclo[24.5.2.22,5.26,9.212,15.218,21.222,25.027,31]tritetraconta-1(32),2(43),3,5(42),6,8,10,12(39),13,15(38),16,18(37),19,21(36),22,24,26(33),27,30,34,40-henicosaene
CID 140924259
4,7-bis[4-(3,5-difluorophenyl)-3-fluorophenyl]-2,1,3-benzothiadiazole
CID 170274867
3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole
CID 139048756
3-(4-bromophenyl)-4H-1,2,4-thiadiazol-5-one
CID 170693628
4,7-bis[4-(1,2,2-triphenylethenyl)phenyl]-2,1,3-benzothiadiazole-5,6-diamine
CID 135141003

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole?
The IUPAC name of 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole (CID 132509972) is 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole?
The canonical SMILES for 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole is Fc1c(F)c(-c2ccc(Br)cc2)c2nsnc2c1-c1ccc(Br)cc1.
What is the InChIKey of 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole?
The InChIKey is HYCLHUVHLHINQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2F2N2S/c19-11-5-1-9(2-6-11)13-15(21)16(22)14(18-17(13)23-25-24-18)10-3-7-12(20)8-4-10/h1-8H.
What are the key properties of 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole?
4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole has a molecular weight of 482.15 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-bromophenyl)-5,6-difluoro-2,1,3-benzothiadiazole is sourced from PubChem (CID 132509972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).