N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide

C15H16N4O4S2 — CID 172993800

IUPACN-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccn2nc(-c3cccc(N(S(C)(=O)=O)S(C)(=O)=O)c3)nc2c1
InChIInChI=1S/C15H16N4O4S2/c1-11-7-8-18-14(9-11)16-15(17-18)12-5-4-6-13(10-12)19(24(2,20)21)25(3,22)23/h4-10H,1-3H3
InChIKeyWSGLPRYJWBMLPX-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.43
Rot. Bonds4

About N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide

N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide (PubChem CID 172993800) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide
PubChem CID172993800
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC NameN-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccn2nc(-c3cccc(N(S(C)(=O)=O)S(C)(=O)=O)c3)nc2c1
InChIInChI=1S/C15H16N4O4S2/c1-11-7-8-18-14(9-11)16-15(17-18)12-5-4-6-13(10-12)19(24(2,20)21)25(3,22)23/h4-10H,1-3H3
InChIKeyWSGLPRYJWBMLPX-UHFFFAOYSA-N
XLogP1.43
TPSA101.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide (CID 172993800) is N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide is Cc1ccn2nc(-c3cccc(N(S(C)(=O)=O)S(C)(=O)=O)c3)nc2c1.
What is the InChIKey of N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide?
The InChIKey is WSGLPRYJWBMLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c1-11-7-8-18-14(9-11)16-15(17-18)12-5-4-6-13(10-12)19(24(2,20)21)25(3,22)23/h4-10H,1-3H3.
What are the key properties of N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide?
N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-N-[3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 172993800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).