2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide

C15H16N6O3S — CID 137499690

IUPAC2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1OC
InChIInChI=1S/C15H16N6O3S/c1-16-25(22,23)14-4-3-12(9-13(14)24-2)15-18-20-21(19-15)10-11-5-7-17-8-6-11/h3-9,16H,10H2,1-2H3
InChIKeyBVCMDHQMUMKUOD-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.70
Rot. Bonds6

About 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide

2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499690) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499690
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1OC
InChIInChI=1S/C15H16N6O3S/c1-16-25(22,23)14-4-3-12(9-13(14)24-2)15-18-20-21(19-15)10-11-5-7-17-8-6-11/h3-9,16H,10H2,1-2H3
InChIKeyBVCMDHQMUMKUOD-UHFFFAOYSA-N
XLogP0.70
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499690) is 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1OC.
What is the InChIKey of 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is BVCMDHQMUMKUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-16-25(22,23)14-4-3-12(9-13(14)24-2)15-18-20-21(19-15)10-11-5-7-17-8-6-11/h3-9,16H,10H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).