3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C11H10N8O2S — CID 118265360

IUPAC3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1cncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)n1
InChIInChI=1S/C11H10N8O2S/c12-9-5-14-4-7(15-9)6-2-1-3-8(22(13,20)21)10(6)11-16-18-19-17-11/h1-5H,(H2,12,15)(H2,13,20,21)(H,16,17,18,19)
InChIKeyVSSPOYNGTHKDPQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.45
Rot. Bonds3

About 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118265360) has the molecular formula C11H10N8O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118265360
Molecular FormulaC11H10N8O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1cncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)n1
InChIInChI=1S/C11H10N8O2S/c12-9-5-14-4-7(15-9)6-2-1-3-8(22(13,20)21)10(6)11-16-18-19-17-11/h1-5H,(H2,12,15)(H2,13,20,21)(H,16,17,18,19)
InChIKeyVSSPOYNGTHKDPQ-UHFFFAOYSA-N
XLogP-0.45
TPSA166.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118265360) is 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1cncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)n1.
What is the InChIKey of 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is VSSPOYNGTHKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O2S/c12-9-5-14-4-7(15-9)6-2-1-3-8(22(13,20)21)10(6)11-16-18-19-17-11/h1-5H,(H2,12,15)(H2,13,20,21)(H,16,17,18,19).
What are the key properties of 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 318.32 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118265360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).