3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide

C14H7BrCl2N2OS — CID 107951874

IUPAC3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7BrCl2N2OS/c15-8-3-7(4-9(16)5-8)14(20)19-12-10(17)1-2-11-13(12)18-6-21-11/h1-6H,(H,19,20)
InChIKeyRDEXTBIIVLQKIE-UHFFFAOYSA-N
MW402.10 g/mol
LogP5.62
Rot. Bonds2

About 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide

3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide (PubChem CID 107951874) has the molecular formula C14H7BrCl2N2OS and a molecular weight of 402.10 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
PubChem CID107951874
Molecular FormulaC14H7BrCl2N2OS
Molecular Weight402.10 g/mol
Exact Mass399.88
IUPAC Name3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
SMILESO=C(Nc1c(Cl)ccc2scnc12)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H7BrCl2N2OS/c15-8-3-7(4-9(16)5-8)14(20)19-12-10(17)1-2-11-13(12)18-6-21-11/h1-6H,(H,19,20)
InChIKeyRDEXTBIIVLQKIE-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.10
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 107999354
3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 43699875
2-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 102979089
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)pyridine-4-carboxamide
CID 66483517
N-(1-benzothiophen-5-yl)-3-bromo-5-chlorobenzamide
CID 107951910
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
4-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluorobenzamide
CID 107793809
N-(5-chloro-1,3-benzothiazol-4-yl)-4-fluoro-2-iodobenzamide
CID 102979090
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55114948
N-(5-chloro-1,3-benzothiazol-4-yl)-2-fluoro-3-methylbenzamide
CID 81481599

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide (CID 107951874) is 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide is O=C(Nc1c(Cl)ccc2scnc12)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
The InChIKey is RDEXTBIIVLQKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrCl2N2OS/c15-8-3-7(4-9(16)5-8)14(20)19-12-10(17)1-2-11-13(12)18-6-21-11/h1-6H,(H,19,20).
What are the key properties of 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide?
3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide has a molecular weight of 402.10 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide is sourced from PubChem (CID 107951874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).