N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide

C8H7N5O3S — CID 23359141

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide
SMILESO=CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H7N5O3S/c14-5-9-17(15,16)7-3-1-6(2-4-7)8-10-12-13-11-8/h1-5H,(H,9,14)(H,10,11,12,13)
InChIKeyIQPMNAUCUQVXOM-UHFFFAOYSA-N
MW253.24 g/mol
LogP-0.70
Rot. Bonds4

About N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide

N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide (PubChem CID 23359141) has the molecular formula C8H7N5O3S and a molecular weight of 253.24 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide
PubChem CID23359141
Molecular FormulaC8H7N5O3S
Molecular Weight253.24 g/mol
Exact Mass253.03
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide
SMILESO=CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H7N5O3S/c14-5-9-17(15,16)7-3-1-6(2-4-7)8-10-12-13-11-8/h1-5H,(H,9,14)(H,10,11,12,13)
InChIKeyIQPMNAUCUQVXOM-UHFFFAOYSA-N
XLogP-0.70
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide (CID 23359141) is N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide is O=CNS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide?
The InChIKey is IQPMNAUCUQVXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3S/c14-5-9-17(15,16)7-3-1-6(2-4-7)8-10-12-13-11-8/h1-5H,(H,9,14)(H,10,11,12,13).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide?
N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide has a molecular weight of 253.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yl)phenyl]sulfonylformamide is sourced from PubChem (CID 23359141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).