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

C16H15ClN4O2S — CID 53190685

IUPAC2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CCC3)nc12)c1ccccc1Cl
InChIInChI=1S/C16H15ClN4O2S/c17-12-7-1-2-9-14(12)24(22,23)20-13-8-4-10-21-16(13)18-15(19-21)11-5-3-6-11/h1-2,4,7-11,20H,3,5-6H2
InChIKeyMWKRRRHTVSSSBC-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.45
Rot. Bonds4

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

2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 53190685) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
PubChem CID53190685
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CCC3)nc12)c1ccccc1Cl
InChIInChI=1S/C16H15ClN4O2S/c17-12-7-1-2-9-14(12)24(22,23)20-13-8-4-10-21-16(13)18-15(19-21)11-5-3-6-11/h1-2,4,7-11,20H,3,5-6H2
InChIKeyMWKRRRHTVSSSBC-UHFFFAOYSA-N
XLogP3.45
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
CID 53190700
5-chloro-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)thiophene-2-sulfonamide
CID 87054168
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)-4-methoxybenzenesulfonamide
CID 53190674
N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 53190679
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190518
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 53190755
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-phenylpropanamide
CID 87054160
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-phenoxyacetamide
CID 53190515
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-fluorobenzamide
CID 53190492
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
CID 83866114

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (CID 53190685) is 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cccn2nc(C3CCC3)nc12)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is MWKRRRHTVSSSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-12-7-1-2-9-14(12)24(22,23)20-13-8-4-10-21-16(13)18-15(19-21)11-5-3-6-11/h1-2,4,7-11,20H,3,5-6H2.
What are the key properties of 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 53190685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).