3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C17H19N5O3S — CID 7693751

IUPAC3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12
InChIInChI=1S/C17H19N5O3S/c1-12(16-20-19-15-9-4-5-10-22(15)16)18-17(23)13-7-6-8-14(11-13)26(24,25)21(2)3/h4-12H,1-3H3,(H,18,23)/t12-/m0/s1
InChIKeyUXTAABUVERSZCO-LBPRGKRZSA-N
MW373.44 g/mol
LogP1.47
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 7693751) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID7693751
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12
InChIInChI=1S/C17H19N5O3S/c1-12(16-20-19-15-9-4-5-10-22(15)16)18-17(23)13-7-6-8-14(11-13)26(24,25)21(2)3/h4-12H,1-3H3,(H,18,23)/t12-/m0/s1
InChIKeyUXTAABUVERSZCO-LBPRGKRZSA-N
XLogP1.47
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030736
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
3-[[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]sulfamoyl]benzoic acid
CID 23474125
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97265928
3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
3-(dimethylsulfamoyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 8923186
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
N-[(1R)-1-(4-bromophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733491
4-[(4-methylphenyl)sulfonylmethyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78889026

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 7693751) is 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1nnc2ccccn12.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is UXTAABUVERSZCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-12(16-20-19-15-9-4-5-10-22(15)16)18-17(23)13-7-6-8-14(11-13)26(24,25)21(2)3/h4-12H,1-3H3,(H,18,23)/t12-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 373.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 7693751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).