N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide

C17H17FN4O2S — CID 53166658

IUPACN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccn2c(C3CCC3)nnc12
InChIInChI=1S/C17H17FN4O2S/c1-11-7-8-13(18)10-15(11)25(23,24)21-14-6-3-9-22-16(12-4-2-5-12)19-20-17(14)22/h3,6-10,12,21H,2,4-5H2,1H3
InChIKeyLXKVOADZAYYWRM-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.25
Rot. Bonds4

About N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 53166658) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID53166658
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1cccn2c(C3CCC3)nnc12
InChIInChI=1S/C17H17FN4O2S/c1-11-7-8-13(18)10-15(11)25(23,24)21-14-6-3-9-22-16(12-4-2-5-12)19-20-17(14)22/h3,6-10,12,21H,2,4-5H2,1H3
InChIKeyLXKVOADZAYYWRM-UHFFFAOYSA-N
XLogP3.25
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 53166665
3-chloro-N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
CID 53166656
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
2-[(5-fluoro-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxamide
CID 71871357
5-fluoro-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 106831907
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
N-[2-(chloromethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide
CID 106367588
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-(5-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53175653
N-(5-amino-2,4-difluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43550936

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 53166658) is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1cccn2c(C3CCC3)nnc12.
What is the InChIKey of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LXKVOADZAYYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-11-7-8-13(18)10-15(11)25(23,24)21-14-6-3-9-22-16(12-4-2-5-12)19-20-17(14)22/h3,6-10,12,21H,2,4-5H2,1H3.
What are the key properties of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 53166658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).