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

C12H15N5O2S — CID 118266098

IUPAC3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCCC2)c1-c1nn[nH]n1
InChIInChI=1S/C12H15N5O2S/c13-20(18,19)10-7-3-6-9(8-4-1-2-5-8)11(10)12-14-16-17-15-12/h3,6-8H,1-2,4-5H2,(H2,13,18,19)(H,14,15,16,17)
InChIKeyIUHZNBIUIYIBGV-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.17
Rot. Bonds3

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

3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266098) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266098
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCCC2)c1-c1nn[nH]n1
InChIInChI=1S/C12H15N5O2S/c13-20(18,19)10-7-3-6-9(8-4-1-2-5-8)11(10)12-14-16-17-15-12/h3,6-8H,1-2,4-5H2,(H2,13,18,19)(H,14,15,16,17)
InChIKeyIUHZNBIUIYIBGV-UHFFFAOYSA-N
XLogP1.17
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266098) is 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C2CCCC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is IUHZNBIUIYIBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c13-20(18,19)10-7-3-6-9(8-4-1-2-5-8)11(10)12-14-16-17-15-12/h3,6-8H,1-2,4-5H2,(H2,13,18,19)(H,14,15,16,17).
What are the key properties of 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).