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

C15H13BrN4O2S — CID 87054170

IUPAC4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN4O2S/c16-11-5-7-12(8-6-11)23(21,22)19-13-2-1-9-20-15(13)17-14(18-20)10-3-4-10/h1-2,5-10,19H,3-4H2
InChIKeyHKCUVOPXMXRLDM-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.17
Rot. Bonds4

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

4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (PubChem CID 87054170) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
PubChem CID87054170
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrN4O2S/c16-11-5-7-12(8-6-11)23(21,22)19-13-2-1-9-20-15(13)17-14(18-20)10-3-4-10/h1-2,5-10,19H,3-4H2
InChIKeyHKCUVOPXMXRLDM-UHFFFAOYSA-N
XLogP3.17
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.17
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
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-methylbenzenesulfonamide
CID 53190700
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
2-chloro-N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 53190685
4-methoxy-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide
CID 53190641
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propanamide
CID 53190518
methyl 2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117137744
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
2-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)acetaldehyde
CID 83880900
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)methanamine
CID 83866114

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide (CID 87054170) is 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cccn2nc(C3CC3)nc12)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
The InChIKey is HKCUVOPXMXRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c16-11-5-7-12(8-6-11)23(21,22)19-13-2-1-9-20-15(13)17-14(18-20)10-3-4-10/h1-2,5-10,19H,3-4H2.
What are the key properties of 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide?
4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide has a molecular weight of 393.27 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzenesulfonamide is sourced from PubChem (CID 87054170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).