4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide

C13H11BrN4O2S — CID 60652284

IUPAC4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2ccccn12)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4O2S/c14-10-4-6-11(7-5-10)21(19,20)15-9-13-17-16-12-3-1-2-8-18(12)13/h1-8,15H,9H2
InChIKeyJTCCIKNOFDTMHY-UHFFFAOYSA-N
MW367.23 g/mol
LogP1.97
Rot. Bonds4

About 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide

4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 60652284) has the molecular formula C13H11BrN4O2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID60652284
Molecular FormulaC13H11BrN4O2S
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1nnc2ccccn12)c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4O2S/c14-10-4-6-11(7-5-10)21(19,20)15-9-13-17-16-12-3-1-2-8-18(12)13/h1-8,15H,9H2
InChIKeyJTCCIKNOFDTMHY-UHFFFAOYSA-N
XLogP1.97
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 86978022
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
3-[(4-methylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9021108
5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61248732
4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
CID 91947514
(2R)-1-(4-bromophenyl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30261060
2,3-dimethyl-5-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 78820851
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
N-[(4-bromophenyl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 27657524
4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870998
4-(cyclopropylsulfamoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27840808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide (CID 60652284) is 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1nnc2ccccn12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is JTCCIKNOFDTMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2S/c14-10-4-6-11(7-5-10)21(19,20)15-9-13-17-16-12-3-1-2-8-18(12)13/h1-8,15H,9H2.
What are the key properties of 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide?
4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 367.23 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60652284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).