N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide

C15H16N6O2S — CID 41350032

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2cccnc2)cc1C
InChIInChI=1S/C15H16N6O2S/c1-11-5-6-13(8-12(11)2)21-15(18-19-20-21)10-17-24(22,23)14-4-3-7-16-9-14/h3-9,17H,10H2,1-2H3
InChIKeyWMTJVSGBYSWDTB-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.15
Rot. Bonds5

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide (PubChem CID 41350032) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
PubChem CID41350032
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide
SMILESCc1ccc(-n2nnnc2CNS(=O)(=O)c2cccnc2)cc1C
InChIInChI=1S/C15H16N6O2S/c1-11-5-6-13(8-12(11)2)21-15(18-19-20-21)10-17-24(22,23)14-4-3-7-16-9-14/h3-9,17H,10H2,1-2H3
InChIKeyWMTJVSGBYSWDTB-UHFFFAOYSA-N
XLogP1.15
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide (CID 41350032) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide is Cc1ccc(-n2nnnc2CNS(=O)(=O)c2cccnc2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is WMTJVSGBYSWDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-11-5-6-13(8-12(11)2)21-15(18-19-20-21)10-17-24(22,23)14-4-3-7-16-9-14/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 344.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 41350032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).