2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide

C11H10BrN5O2S — CID 2460544

IUPAC2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
SMILESCn1nnnc1SCC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H10BrN5O2S/c1-17-11(14-15-16-17)20-6-9(18)13-10(19)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,13,18,19)
InChIKeyMGEQXZNRMOMABV-UHFFFAOYSA-N
MW356.21 g/mol
LogP1.02
Rot. Bonds4

About 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide

2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide (PubChem CID 2460544) has the molecular formula C11H10BrN5O2S and a molecular weight of 356.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
PubChem CID2460544
Molecular FormulaC11H10BrN5O2S
Molecular Weight356.21 g/mol
Exact Mass354.97
IUPAC Name2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide
SMILESCn1nnnc1SCC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H10BrN5O2S/c1-17-11(14-15-16-17)20-6-9(18)13-10(19)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,13,18,19)
InChIKeyMGEQXZNRMOMABV-UHFFFAOYSA-N
XLogP1.02
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide (CID 2460544) is 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide is Cn1nnnc1SCC(=O)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
The InChIKey is MGEQXZNRMOMABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2S/c1-17-11(14-15-16-17)20-6-9(18)13-10(19)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3,(H,13,18,19).
What are the key properties of 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide?
2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide has a molecular weight of 356.21 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(1-methyltetrazol-5-yl)sulfanylacetyl]benzamide is sourced from PubChem (CID 2460544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).