2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide

C9H10N6O3S — CID 137499689

IUPAC2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N6O3S/c10-8(16)5-11-19(17,18)7-3-1-6(2-4-7)9-12-14-15-13-9/h1-4,11H,5H2,(H2,10,16)(H,12,13,14,15)
InChIKeyWWJHHPZFLLCYPV-UHFFFAOYSA-N
MW282.29 g/mol
LogP-1.37
Rot. Bonds5

About 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide

2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide (PubChem CID 137499689) has the molecular formula C9H10N6O3S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide
PubChem CID137499689
Molecular FormulaC9H10N6O3S
Molecular Weight282.29 g/mol
Exact Mass282.05
IUPAC Name2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N6O3S/c10-8(16)5-11-19(17,18)7-3-1-6(2-4-7)9-12-14-15-13-9/h1-4,11H,5H2,(H2,10,16)(H,12,13,14,15)
InChIKeyWWJHHPZFLLCYPV-UHFFFAOYSA-N
XLogP-1.37
TPSA143.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide (CID 137499689) is 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide?
The InChIKey is WWJHHPZFLLCYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O3S/c10-8(16)5-11-19(17,18)7-3-1-6(2-4-7)9-12-14-15-13-9/h1-4,11H,5H2,(H2,10,16)(H,12,13,14,15).
What are the key properties of 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide?
2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide has a molecular weight of 282.29 g/mol, XLogP of -1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2H-tetrazol-5-yl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 137499689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).