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

C11H13N5O2S — CID 118266091

IUPAC3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCC2)c1-c1nn[nH]n1
InChIInChI=1S/C11H13N5O2S/c12-19(17,18)9-6-2-5-8(7-3-1-4-7)10(9)11-13-15-16-14-11/h2,5-7H,1,3-4H2,(H2,12,17,18)(H,13,14,15,16)
InChIKeyIXZVJBQADSTIQK-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.78
Rot. Bonds3

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

3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266091) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266091
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCC2)c1-c1nn[nH]n1
InChIInChI=1S/C11H13N5O2S/c12-19(17,18)9-6-2-5-8(7-3-1-4-7)10(9)11-13-15-16-14-11/h2,5-7H,1,3-4H2,(H2,12,17,18)(H,13,14,15,16)
InChIKeyIXZVJBQADSTIQK-UHFFFAOYSA-N
XLogP0.78
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266091) is 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C2CCC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is IXZVJBQADSTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c12-19(17,18)9-6-2-5-8(7-3-1-4-7)10(9)11-13-15-16-14-11/h2,5-7H,1,3-4H2,(H2,12,17,18)(H,13,14,15,16).
What are the key properties of 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).