2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

C15H20N4O4S2 — CID 129001036

IUPAC2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCn3ncnc32)c1
InChIInChI=1S/C15H20N4O4S2/c1-10-7-13(24(3,20)21)11(2)14(8-10)25(22,23)18-12-5-4-6-19-15(12)16-9-17-19/h7-9,12,18H,4-6H2,1-3H3
InChIKeyWSXIETICSQSYON-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.11
Rot. Bonds4

About 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide

2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 129001036) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
PubChem CID129001036
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESCc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCn3ncnc32)c1
InChIInChI=1S/C15H20N4O4S2/c1-10-7-13(24(3,20)21)11(2)14(8-10)25(22,23)18-12-5-4-6-19-15(12)16-9-17-19/h7-9,12,18H,4-6H2,1-3H3
InChIKeyWSXIETICSQSYON-UHFFFAOYSA-N
XLogP1.11
TPSA111.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (CID 129001036) is 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NC2CCCn3ncnc32)c1.
What is the InChIKey of 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is WSXIETICSQSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-10-7-13(24(3,20)21)11(2)14(8-10)25(22,23)18-12-5-4-6-19-15(12)16-9-17-19/h7-9,12,18H,4-6H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfonyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 129001036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).