4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide

C21H20ClN5O3S2 — CID 68770338

IUPAC4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12
InChIInChI=1S/C21H20ClN5O3S2/c1-26(12-9-16-5-2-3-10-23-16)21(28)17-8-7-15(22)13-18(17)25-32(29,30)20-6-4-11-27-19(20)14-24-31-27/h2-8,10-11,13-14,24-25H,9,12H2,1H3
InChIKeyANMBECJONLFRBG-UHFFFAOYSA-N
MW490.01 g/mol
LogP3.51
Rot. Bonds7

About 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide

4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide (PubChem CID 68770338) has the molecular formula C21H20ClN5O3S2 and a molecular weight of 490.01 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
PubChem CID68770338
Molecular FormulaC21H20ClN5O3S2
Molecular Weight490.01 g/mol
Exact Mass489.07
IUPAC Name4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
SMILESCN(CCc1ccccn1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12
InChIInChI=1S/C21H20ClN5O3S2/c1-26(12-9-16-5-2-3-10-23-16)21(28)17-8-7-15(22)13-18(17)25-32(29,30)20-6-4-11-27-19(20)14-24-31-27/h2-8,10-11,13-14,24-25H,9,12H2,1H3
InChIKeyANMBECJONLFRBG-UHFFFAOYSA-N
XLogP3.51
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-4-chloro-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68834101
5-chloro-N-[(2,4-dichlorophenyl)methyl]-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68830030
4-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)-N-[(2,4,6-trichlorophenyl)methyl]benzamide
CID 68830473
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68830042
4-bromo-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide
CID 68835324
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
2-fluoro-4-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103941324
(2S)-3-(4-chloro-3-iodophenyl)-2-[[4-iodo-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzoyl]amino]propanoic acid
CID 68773451
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 66463234
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870
4-chloro-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 86824171

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The IUPAC name of 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide (CID 68770338) is 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide is CN(CCc1ccccn1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)C1=CC=CN2SNC=C12.
What is the InChIKey of 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
The InChIKey is ANMBECJONLFRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3S2/c1-26(12-9-16-5-2-3-10-23-16)21(28)17-8-7-15(22)13-18(17)25-32(29,30)20-6-4-11-27-19(20)14-24-31-27/h2-8,10-11,13-14,24-25H,9,12H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide?
4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide has a molecular weight of 490.01 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-2-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-ylsulfonylamino)benzamide is sourced from PubChem (CID 68770338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).