3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C12H11N7O2S — CID 118256780

IUPAC3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C12H11N7O2S/c13-10-5-4-7(6-15-10)8-2-1-3-9(22(14,20)21)11(8)12-16-18-19-17-12/h1-6H,(H2,13,15)(H2,14,20,21)(H,16,17,18,19)
InChIKeyQGHCSGQFXJUCGF-UHFFFAOYSA-N
MW317.33 g/mol
LogP0.16
Rot. Bonds3

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

3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118256780) has the molecular formula C12H11N7O2S and a molecular weight of 317.33 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118256780
Molecular FormulaC12H11N7O2S
Molecular Weight317.33 g/mol
Exact Mass317.07
IUPAC Name3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C12H11N7O2S/c13-10-5-4-7(6-15-10)8-2-1-3-9(22(14,20)21)11(8)12-16-18-19-17-12/h1-6H,(H2,13,15)(H2,14,20,21)(H,16,17,18,19)
InChIKeyQGHCSGQFXJUCGF-UHFFFAOYSA-N
XLogP0.16
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118256780) is 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1ccc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is QGHCSGQFXJUCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O2S/c13-10-5-4-7(6-15-10)8-2-1-3-9(22(14,20)21)11(8)12-16-18-19-17-12/h1-6H,(H2,13,15)(H2,14,20,21)(H,16,17,18,19).
What are the key properties of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 317.33 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118256780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).