3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide

C9H5BrClN3OS — CID 103282570

IUPAC3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H5BrClN3OS/c10-6-3-5(1-2-7(6)11)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyDBDHYCBLSMEIIZ-UHFFFAOYSA-N
MW318.58 g/mol
LogP3.21
Rot. Bonds2

About 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide

3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide (PubChem CID 103282570) has the molecular formula C9H5BrClN3OS and a molecular weight of 318.58 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
PubChem CID103282570
Molecular FormulaC9H5BrClN3OS
Molecular Weight318.58 g/mol
Exact Mass316.90
IUPAC Name3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C9H5BrClN3OS/c10-6-3-5(1-2-7(6)11)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyDBDHYCBLSMEIIZ-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

5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114912729
4-hydroxy-N-(thiadiazol-5-yl)benzamide
CID 114912827
5-amino-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114911491
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
5-carbamothioyl-N-(thiadiazol-5-yl)pyridine-2-carboxamide
CID 114912663
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
3-bromo-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 114025876
3-bromo-4-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 113330232
3-bromo-4-chloro-N-(2-chloro-4-pyridinyl)benzamide
CID 107999613

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide (CID 103282570) is 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide?
The InChIKey is DBDHYCBLSMEIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3OS/c10-6-3-5(1-2-7(6)11)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15).
What are the key properties of 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide?
3-bromo-4-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 3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 103282570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).