N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide

C17H20N4O2S — CID 129397398

IUPACN-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C17H20N4O2S/c1-12-18-17-16(7-4-10-21(17)19-12)20-24(22,23)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,11,16,20H,4,7-10H2,1H3/t16-/m1/s1
InChIKeyLORHWTUURZYZCL-MRXNPFEDSA-N
MW344.44 g/mol
LogP2.33
Rot. Bonds3

About N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide

N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 129397398) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID129397398
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1=Cc2ccccc2CC1
InChIInChI=1S/C17H20N4O2S/c1-12-18-17-16(7-4-10-21(17)19-12)20-24(22,23)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,11,16,20H,4,7-10H2,1H3/t16-/m1/s1
InChIKeyLORHWTUURZYZCL-MRXNPFEDSA-N
XLogP2.33
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide (CID 129397398) is N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide is Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is LORHWTUURZYZCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-18-17-16(7-4-10-21(17)19-12)20-24(22,23)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,11,16,20H,4,7-10H2,1H3/t16-/m1/s1.
What are the key properties of N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 129397398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).