4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide

C8H9N5O3S — CID 118256843

IUPAC4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H9N5O3S/c1-16-5-2-3-7(17(9,14)15)6(4-5)8-10-12-13-11-8/h2-4H,1H3,(H2,9,14,15)(H,10,11,12,13)
InChIKeyMNHLBYPGGOYQGK-UHFFFAOYSA-N
MW255.26 g/mol
LogP-0.48
Rot. Bonds3

About 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide

4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118256843) has the molecular formula C8H9N5O3S and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118256843
Molecular FormulaC8H9N5O3S
Molecular Weight255.26 g/mol
Exact Mass255.04
IUPAC Name4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(N)(=O)=O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C8H9N5O3S/c1-16-5-2-3-7(17(9,14)15)6(4-5)8-10-12-13-11-8/h2-4H,1H3,(H2,9,14,15)(H,10,11,12,13)
InChIKeyMNHLBYPGGOYQGK-UHFFFAOYSA-N
XLogP-0.48
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118256843) is 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide is COc1ccc(S(N)(=O)=O)c(-c2nn[nH]n2)c1.
What is the InChIKey of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is MNHLBYPGGOYQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3S/c1-16-5-2-3-7(17(9,14)15)6(4-5)8-10-12-13-11-8/h2-4H,1H3,(H2,9,14,15)(H,10,11,12,13).
What are the key properties of 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide?
4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 255.26 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118256843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).