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

C14H14N6O2S — CID 137499973

IUPACN-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1
InChIInChI=1S/C14H14N6O2S/c1-15-23(21,22)13-4-2-12(3-5-13)14-17-19-20(18-14)10-11-6-8-16-9-7-11/h2-9,15H,10H2,1H3
InChIKeyDNHBARLXRWKXMG-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.69
Rot. Bonds5

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

N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (PubChem CID 137499973) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
PubChem CID137499973
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1
InChIInChI=1S/C14H14N6O2S/c1-15-23(21,22)13-4-2-12(3-5-13)14-17-19-20(18-14)10-11-6-8-16-9-7-11/h2-9,15H,10H2,1H3
InChIKeyDNHBARLXRWKXMG-UHFFFAOYSA-N
XLogP0.69
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide (CID 137499973) is N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccncc3)n2)cc1.
What is the InChIKey of N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
The InChIKey is DNHBARLXRWKXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-15-23(21,22)13-4-2-12(3-5-13)14-17-19-20(18-14)10-11-6-8-16-9-7-11/h2-9,15H,10H2,1H3.
What are the key properties of N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide?
N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 137499973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).