5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide

C9H5BrClN3OS — CID 114912729

IUPAC5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H5BrClN3OS/c10-5-1-2-7(11)6(3-5)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyYVMJCYQGNGXNBL-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.21
Rot. Bonds2

About 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide

5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide (PubChem CID 114912729) has the molecular formula C9H5BrClN3OS and a molecular weight of 318.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
PubChem CID114912729
Molecular FormulaC9H5BrClN3OS
Molecular Weight318.58 g/mol
Exact Mass316.90
IUPAC Name5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H5BrClN3OS/c10-5-1-2-7(11)6(3-5)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyYVMJCYQGNGXNBL-UHFFFAOYSA-N
XLogP3.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(thiadiazol-5-yl)benzamide
CID 103282575
5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114911491
3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
CID 103282570
2-amino-5-bromo-N-(thiadiazol-5-yl)pyridine-3-carboxamide
CID 114914151
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 99789672
5-bromo-2-chloro-N-(thiatriazol-5-yl)benzamide
CID 114912771
2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
CID 114912759
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
N-(5-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43548736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide (CID 114912729) is 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide?
The InChIKey is YVMJCYQGNGXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3OS/c10-5-1-2-7(11)6(3-5)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15).
What are the key properties of 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide?
5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide has a molecular weight of 318.58 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114912729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).