pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide

C14H15N2O2S- — CID 4743591

IUPACpyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide
SMILESCc1cc(C)c(S(=O)(=O)[N-]c2ccncc2)c(C)c1
InChIInChI=1S/C14H15N2O2S/c1-10-8-11(2)14(12(3)9-10)19(17,18)16-13-4-6-15-7-5-13/h4-9H,1-3H3/q-1
InChIKeyJTWKFWAZRGICTO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.40
Rot. Bonds3

About pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide

pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide (PubChem CID 4743591) has the molecular formula C14H15N2O2S- and a molecular weight of 275.35 g/mol. Its IUPAC name is pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide.

Molecular Properties

Compound Namepyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide
PubChem CID4743591
Molecular FormulaC14H15N2O2S-
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Namepyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide
SMILESCc1cc(C)c(S(=O)(=O)[N-]c2ccncc2)c(C)c1
InChIInChI=1S/C14H15N2O2S/c1-10-8-11(2)14(12(3)9-10)19(17,18)16-13-4-6-15-7-5-13/h4-9H,1-3H3/q-1
InChIKeyJTWKFWAZRGICTO-UHFFFAOYSA-N
XLogP3.40
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
The IUPAC name of pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide (CID 4743591) is pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide.
What is the SMILES notation for pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
The canonical SMILES for pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide is Cc1cc(C)c(S(=O)(=O)[N-]c2ccncc2)c(C)c1.
What is the InChIKey of pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
The InChIKey is JTWKFWAZRGICTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O2S/c1-10-8-11(2)14(12(3)9-10)19(17,18)16-13-4-6-15-7-5-13/h4-9H,1-3H3/q-1.
What are the key properties of pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide?
pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide has a molecular weight of 275.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(2,4,6-trimethylphenyl)sulfonylazanide is sourced from PubChem (CID 4743591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).