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

C10H11N5O2S — CID 118266096

IUPAC3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CC2)c1-c1nn[nH]n1
InChIInChI=1S/C10H11N5O2S/c11-18(16,17)8-3-1-2-7(6-4-5-6)9(8)10-12-14-15-13-10/h1-3,6H,4-5H2,(H2,11,16,17)(H,12,13,14,15)
InChIKeyCHTFTYWJKSKNNK-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.39
Rot. Bonds3

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

3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266096) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266096
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CC2)c1-c1nn[nH]n1
InChIInChI=1S/C10H11N5O2S/c11-18(16,17)8-3-1-2-7(6-4-5-6)9(8)10-12-14-15-13-10/h1-3,6H,4-5H2,(H2,11,16,17)(H,12,13,14,15)
InChIKeyCHTFTYWJKSKNNK-UHFFFAOYSA-N
XLogP0.39
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266096) is 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C2CC2)c1-c1nn[nH]n1.
What is the InChIKey of 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is CHTFTYWJKSKNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-18(16,17)8-3-1-2-7(6-4-5-6)9(8)10-12-14-15-13-10/h1-3,6H,4-5H2,(H2,11,16,17)(H,12,13,14,15).
What are the key properties of 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 265.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).