N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide

C17H17N5O2S — CID 97344927

IUPACN-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1
InChIInChI=1S/C17H17N5O2S/c23-25(24,15-7-4-10-18-11-15)21-14-8-9-16-19-20-17(22(16)12-14)13-5-2-1-3-6-13/h1-7,10-11,14,21H,8-9,12H2/t14-/m0/s1
InChIKeyRTFCWNBJJJJQFO-AWEZNQCLSA-N
MW355.42 g/mol
LogP1.63
Rot. Bonds4

About N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide

N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide (PubChem CID 97344927) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide
PubChem CID97344927
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1
InChIInChI=1S/C17H17N5O2S/c23-25(24,15-7-4-10-18-11-15)21-14-8-9-16-19-20-17(22(16)12-14)13-5-2-1-3-6-13/h1-7,10-11,14,21H,8-9,12H2/t14-/m0/s1
InChIKeyRTFCWNBJJJJQFO-AWEZNQCLSA-N
XLogP1.63
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide with MolForge

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Related Compounds

N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317
N-(2-methyl-3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridine-3-sulfonamide
CID 91910836
N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-3-sulfonamide
CID 124603595
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
N-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyridine-3-sulfonamide
CID 126835110
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyridine-3-sulfonamide
CID 56918189
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine-3-sulfonamide
CID 131922128
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide (CID 97344927) is N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide is O=S(=O)(N[C@H]1CCc2nnc(-c3ccccc3)n2C1)c1cccnc1.
What is the InChIKey of N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide?
The InChIKey is RTFCWNBJJJJQFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-25(24,15-7-4-10-18-11-15)21-14-8-9-16-19-20-17(22(16)12-14)13-5-2-1-3-6-13/h1-7,10-11,14,21H,8-9,12H2/t14-/m0/s1.
What are the key properties of N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide?
N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide has a molecular weight of 355.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 97344927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).