5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

C15H11BrClN5OS — CID 39126999

IUPAC5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H11BrClN5OS/c1-24-15-19-20-21-22(15)11-4-2-3-10(8-11)18-14(23)12-7-9(16)5-6-13(12)17/h2-8H,1H3,(H,18,23)
InChIKeyASQZNJPQBJYKDA-UHFFFAOYSA-N
MW424.71 g/mol
LogP4.05
Rot. Bonds4

About 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide

5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (PubChem CID 39126999) has the molecular formula C15H11BrClN5OS and a molecular weight of 424.71 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
PubChem CID39126999
Molecular FormulaC15H11BrClN5OS
Molecular Weight424.71 g/mol
Exact Mass422.96
IUPAC Name5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
SMILESCSc1nnnn1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1
InChIInChI=1S/C15H11BrClN5OS/c1-24-15-19-20-21-22(15)11-4-2-3-10(8-11)18-14(23)12-7-9(16)5-6-13(12)17/h2-8H,1H3,(H,18,23)
InChIKeyASQZNJPQBJYKDA-UHFFFAOYSA-N
XLogP4.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39127304
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-fluoro-2-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55966320
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 38680315
3-(dimethylamino)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679896
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55609101
4-bromo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide
CID 39127432

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide (CID 39126999) is 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is CSc1nnnn1-c1cccc(NC(=O)c2cc(Br)ccc2Cl)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is ASQZNJPQBJYKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN5OS/c1-24-15-19-20-21-22(15)11-4-2-3-10(8-11)18-14(23)12-7-9(16)5-6-13(12)17/h2-8H,1H3,(H,18,23).
What are the key properties of 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 424.71 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 39126999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).