2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide

C13H11ClN4O2S — CID 167889546

IUPAC2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide
SMILESCc1ccn2c(NS(=O)(=O)c3ccccc3Cl)nnc2c1
InChIInChI=1S/C13H11ClN4O2S/c1-9-6-7-18-12(8-9)15-16-13(18)17-21(19,20)11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17)
InChIKeyFURSWPMYFKEKNT-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.49
Rot. Bonds3

About 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide

2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide (PubChem CID 167889546) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide
PubChem CID167889546
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC Name2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide
SMILESCc1ccn2c(NS(=O)(=O)c3ccccc3Cl)nnc2c1
InChIInChI=1S/C13H11ClN4O2S/c1-9-6-7-18-12(8-9)15-16-13(18)17-21(19,20)11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17)
InChIKeyFURSWPMYFKEKNT-UHFFFAOYSA-N
XLogP2.49
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-5-nitrobenzenesulfonamide
CID 100643547
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
2-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 5147339
2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 25035216
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-chloro-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524185
2-chloro-N-(3-chloro-6,7-dimethylquinoxalin-2-yl)benzenesulfonamide
CID 86657925
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate
CID 154750121
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
1-(4-methylphenyl)sulfonyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclobutane-1-carboxamide
CID 91644378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide (CID 167889546) is 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide is Cc1ccn2c(NS(=O)(=O)c3ccccc3Cl)nnc2c1.
What is the InChIKey of 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide?
The InChIKey is FURSWPMYFKEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-9-6-7-18-12(8-9)15-16-13(18)17-21(19,20)11-5-3-2-4-10(11)14/h2-8H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide?
2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide has a molecular weight of 322.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzenesulfonamide is sourced from PubChem (CID 167889546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).