3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

C19H14BrN5O3S — CID 39031623

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2ccccn12)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H14BrN5O3S/c20-14-7-9-16(10-8-14)29(27,28)24-15-5-3-4-13(12-15)18(26)21-19-23-22-17-6-1-2-11-25(17)19/h1-12,24H,(H,21,23,26)
InChIKeyNYHUHCMMBXILJA-UHFFFAOYSA-N
MW472.32 g/mol
LogP3.54
Rot. Bonds5

About 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (PubChem CID 39031623) has the molecular formula C19H14BrN5O3S and a molecular weight of 472.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
PubChem CID39031623
Molecular FormulaC19H14BrN5O3S
Molecular Weight472.32 g/mol
Exact Mass471.00
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1nnc2ccccn12)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H14BrN5O3S/c20-14-7-9-16(10-8-14)29(27,28)24-15-5-3-4-13(12-15)18(26)21-19-23-22-17-6-1-2-11-25(17)19/h1-12,24H,(H,21,23,26)
InChIKeyNYHUHCMMBXILJA-UHFFFAOYSA-N
XLogP3.54
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.32
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
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3-[(4-bromophenyl)sulfonylamino]-N-(3-methyl-2-pyridinyl)benzamide
CID 35033473
3-[(4-bromophenyl)sulfonylamino]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30864927
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
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CID 34111798
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 100513322
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
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CID 18161967
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 1116088
3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282806

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide (CID 39031623) is 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is O=C(Nc1nnc2ccccn12)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
The InChIKey is NYHUHCMMBXILJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O3S/c20-14-7-9-16(10-8-14)29(27,28)24-15-5-3-4-13(12-15)18(26)21-19-23-22-17-6-1-2-11-25(17)19/h1-12,24H,(H,21,23,26).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide has a molecular weight of 472.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 39031623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).