2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide

C16H18N4O2S — CID 86978007

IUPAC2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nnc3ccccn23)c(C)c1
InChIInChI=1S/C16H18N4O2S/c1-11-8-12(2)16(13(3)9-11)23(21,22)17-10-15-19-18-14-6-4-5-7-20(14)15/h4-9,17H,10H2,1-3H3
InChIKeyKIZFMKMRRMPTJR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.13
Rot. Bonds4

About 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide

2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 86978007) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID86978007
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nnc3ccccn23)c(C)c1
InChIInChI=1S/C16H18N4O2S/c1-11-8-12(2)16(13(3)9-11)23(21,22)17-10-15-19-18-14-6-4-5-7-20(14)15/h4-9,17H,10H2,1-3H3
InChIKeyKIZFMKMRRMPTJR-UHFFFAOYSA-N
XLogP2.13
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-5-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 78820851
5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61248732
4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 60652284
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 86978022
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
3-[(4-methylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9021108
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
3-[(2,5-dimethylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848651
(2S)-2-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 99857191
1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 51290333
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
CID 64592335

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 86978007) is 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nnc3ccccn23)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is KIZFMKMRRMPTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11-8-12(2)16(13(3)9-11)23(21,22)17-10-15-19-18-14-6-4-5-7-20(14)15/h4-9,17H,10H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 86978007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).