3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C11H11N7O2S — CID 118266442

IUPAC3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCn1cncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C11H11N7O2S/c1-18-6-13-5-8(18)7-3-2-4-9(21(12,19)20)10(7)11-14-16-17-15-11/h2-6H,1H3,(H2,12,19,20)(H,14,15,16,17)
InChIKeyNUEMBVKYFQRGFO-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.09
Rot. Bonds3

About 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266442) has the molecular formula C11H11N7O2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266442
Molecular FormulaC11H11N7O2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCn1cncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C11H11N7O2S/c1-18-6-13-5-8(18)7-3-2-4-9(21(12,19)20)10(7)11-14-16-17-15-11/h2-6H,1H3,(H2,12,19,20)(H,14,15,16,17)
InChIKeyNUEMBVKYFQRGFO-UHFFFAOYSA-N
XLogP-0.09
TPSA132.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266442) is 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cn1cncc1-c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is NUEMBVKYFQRGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2S/c1-18-6-13-5-8(18)7-3-2-4-9(21(12,19)20)10(7)11-14-16-17-15-11/h2-6H,1H3,(H2,12,19,20)(H,14,15,16,17).
What are the key properties of 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 305.32 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).