3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

C19H19N5O3S — CID 126783508

IUPAC3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CCc2ncnn2C1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H19N5O3S/c25-19(22-16-9-10-18-20-13-21-24(18)12-16)14-5-4-6-15(11-14)23-28(26,27)17-7-2-1-3-8-17/h1-8,11,13,16,23H,9-10,12H2,(H,22,25)
InChIKeyPJNVENMOHRBARL-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.82
Rot. Bonds5

About 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide

3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (PubChem CID 126783508) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
PubChem CID126783508
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
SMILESO=C(NC1CCc2ncnn2C1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C19H19N5O3S/c25-19(22-16-9-10-18-20-13-21-24(18)12-16)14-5-4-6-15(11-14)23-28(26,27)17-7-2-1-3-8-17/h1-8,11,13,16,23H,9-10,12H2,(H,22,25)
InChIKeyPJNVENMOHRBARL-UHFFFAOYSA-N
XLogP1.82
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126782451
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
5-(benzenesulfonyl)-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]thiophene-2-carboxamide
CID 129381899
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-[3-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzenesulfonamide;hydrochloride
CID 119487809
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide (CID 126783508) is 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is O=C(NC1CCc2ncnn2C1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
The InChIKey is PJNVENMOHRBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c25-19(22-16-9-10-18-20-13-21-24(18)12-16)14-5-4-6-15(11-14)23-28(26,27)17-7-2-1-3-8-17/h1-8,11,13,16,23H,9-10,12H2,(H,22,25).
What are the key properties of 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide?
3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 126783508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).