2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

C10H11N5O3S — CID 6491356

IUPAC2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2nnn(CC(N)=O)n2)cc1
InChIInChI=1S/C10H11N5O3S/c1-19(17,18)8-4-2-7(3-5-8)10-12-14-15(13-10)6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyHYHGWKXJBIWZFB-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.77
Rot. Bonds4

About 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide

2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (PubChem CID 6491356) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
PubChem CID6491356
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
SMILESCS(=O)(=O)c1ccc(-c2nnn(CC(N)=O)n2)cc1
InChIInChI=1S/C10H11N5O3S/c1-19(17,18)8-4-2-7(3-5-8)10-12-14-15(13-10)6-9(11)16/h2-5H,6H2,1H3,(H2,11,16)
InChIKeyHYHGWKXJBIWZFB-UHFFFAOYSA-N
XLogP-0.77
TPSA120.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide (CID 6491356) is 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is CS(=O)(=O)c1ccc(-c2nnn(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is HYHGWKXJBIWZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-19(17,18)8-4-2-7(3-5-8)10-12-14-15(13-10)6-9(11)16/h2-5H,6H2,1H3,(H2,11,16).
What are the key properties of 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide?
2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 281.30 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 6491356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).