2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

C9H8ClN5OS — CID 833722

IUPAC2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN5OS/c10-6-2-1-3-7(4-6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16)
InChIKeyWBGFJQXDMXWVIH-UHFFFAOYSA-N
MW269.72 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide

2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 833722) has the molecular formula C9H8ClN5OS and a molecular weight of 269.72 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID833722
Molecular FormulaC9H8ClN5OS
Molecular Weight269.72 g/mol
Exact Mass269.01
IUPAC Name2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN5OS/c10-6-2-1-3-7(4-6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16)
InChIKeyWBGFJQXDMXWVIH-UHFFFAOYSA-N
XLogP0.89
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 833722) is 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is NC(=O)CSc1nnnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is WBGFJQXDMXWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c10-6-2-1-3-7(4-6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16).
What are the key properties of 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 269.72 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 833722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).