2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide

C19H20Cl2N4O2S — CID 56679928

IUPAC2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2c(C3CCCCCC3)nnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N4O2S/c20-14-9-5-10-15(21)17(14)28(26,27)24-16-11-6-12-25-18(22-23-19(16)25)13-7-3-1-2-4-8-13/h5-6,9-13,24H,1-4,7-8H2
InChIKeyQFZMRPGQJXOYCN-UHFFFAOYSA-N
MW439.37 g/mol
LogP5.27
Rot. Bonds4

About 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide

2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 56679928) has the molecular formula C19H20Cl2N4O2S and a molecular weight of 439.37 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
PubChem CID56679928
Molecular FormulaC19H20Cl2N4O2S
Molecular Weight439.37 g/mol
Exact Mass438.07
IUPAC Name2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2c(C3CCCCCC3)nnc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H20Cl2N4O2S/c20-14-9-5-10-15(21)17(14)28(26,27)24-16-11-6-12-25-18(22-23-19(16)25)13-7-3-1-2-4-8-13/h5-6,9-13,24H,1-4,7-8H2
InChIKeyQFZMRPGQJXOYCN-UHFFFAOYSA-N
XLogP5.27
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide (CID 56679928) is 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cccn2c(C3CCCCCC3)nnc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is QFZMRPGQJXOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2S/c20-14-9-5-10-15(21)17(14)28(26,27)24-16-11-6-12-25-18(22-23-19(16)25)13-7-3-1-2-4-8-13/h5-6,9-13,24H,1-4,7-8H2.
What are the key properties of 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide?
2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 439.37 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 56679928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).