3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C8H9N5O2S — CID 19832763

IUPAC3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C8H9N5O2S/c1-5-3-2-4-6(16(9,14)15)7(5)8-10-12-13-11-8/h2-4H,1H3,(H2,9,14,15)(H,10,11,12,13)
InChIKeyBFGLWRZOTIJUEA-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.18
Rot. Bonds2

About 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 19832763) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID19832763
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C8H9N5O2S/c1-5-3-2-4-6(16(9,14)15)7(5)8-10-12-13-11-8/h2-4H,1H3,(H2,9,14,15)(H,10,11,12,13)
InChIKeyBFGLWRZOTIJUEA-UHFFFAOYSA-N
XLogP-0.18
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 19832763) is 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1cccc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is BFGLWRZOTIJUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-5-3-2-4-6(16(9,14)15)7(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 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 239.26 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 19832763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).