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

C17H18N4O2S — CID 53190700

IUPACN-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccn3nc(C4CCC4)nc23)cc1
InChIInChI=1S/C17H18N4O2S/c1-12-7-9-14(10-8-12)24(22,23)20-15-6-3-11-21-17(15)18-16(19-21)13-4-2-5-13/h3,6-11,13,20H,2,4-5H2,1H3
InChIKeyOVXCHFJMNGZZTO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.11
Rot. Bonds4

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

N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide (PubChem CID 53190700) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
PubChem CID53190700
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccn3nc(C4CCC4)nc23)cc1
InChIInChI=1S/C17H18N4O2S/c1-12-7-9-14(10-8-12)24(22,23)20-15-6-3-11-21-17(15)18-16(19-21)13-4-2-5-13/h3,6-11,13,20H,2,4-5H2,1H3
InChIKeyOVXCHFJMNGZZTO-UHFFFAOYSA-N
XLogP3.11
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methoxybenzenesulfonamide
CID 53190674
4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 87054170
N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 53190679
5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 87054168
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190518
4-methoxy-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 53190641
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
1-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-N-methylmethanamine
CID 83866121
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
CID 83866114
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide (CID 53190700) is N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccn3nc(C4CCC4)nc23)cc1.
What is the InChIKey of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide?
The InChIKey is OVXCHFJMNGZZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-7-9-14(10-8-12)24(22,23)20-15-6-3-11-21-17(15)18-16(19-21)13-4-2-5-13/h3,6-11,13,20H,2,4-5H2,1H3.
What are the key properties of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide?
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 53190700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).