N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide

C10H6ClN5O2SSe — CID 61051628

IUPACN-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2n[se]nc12)c1cnc(Cl)nc1
InChIInChI=1S/C10H6ClN5O2SSe/c11-10-12-4-6(5-13-10)19(17,18)14-7-2-1-3-8-9(7)16-20-15-8/h1-5,14H
InChIKeyBAXTUQXVHDRIGZ-UHFFFAOYSA-N
MW374.67 g/mol
LogP0.93
Rot. Bonds3

About N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide

N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide (PubChem CID 61051628) has the molecular formula C10H6ClN5O2SSe and a molecular weight of 374.67 g/mol. Its IUPAC name is N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide
PubChem CID61051628
Molecular FormulaC10H6ClN5O2SSe
Molecular Weight374.67 g/mol
Exact Mass374.91
IUPAC NameN-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2n[se]nc12)c1cnc(Cl)nc1
InChIInChI=1S/C10H6ClN5O2SSe/c11-10-12-4-6(5-13-10)19(17,18)14-7-2-1-3-8-9(7)16-20-15-8/h1-5,14H
InChIKeyBAXTUQXVHDRIGZ-UHFFFAOYSA-N
XLogP0.93
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,1,3-benzoselenadiazol-4-yl)-1-chloromethanesulfonamide
CID 63665160
4-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61062569
2-chloro-N-[2-(hydroxymethyl)phenyl]pyrimidine-5-sulfonamide
CID 61052576
5-(2,1,3-benzoselenadiazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61027657
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
N-(2,3-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329103
N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329492
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyridine-3-carboxamide
CID 60630965
2-chloro-N-(2-ethyl-6-methylphenyl)pyrimidine-5-sulfonamide
CID 43456385
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
2-chloro-N-(2,3,5-trifluorophenyl)pyrimidine-5-sulfonamide
CID 62813531

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide?
The IUPAC name of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide (CID 61051628) is N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide is O=S(=O)(Nc1cccc2n[se]nc12)c1cnc(Cl)nc1.
What is the InChIKey of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide?
The InChIKey is BAXTUQXVHDRIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O2SSe/c11-10-12-4-6(5-13-10)19(17,18)14-7-2-1-3-8-9(7)16-20-15-8/h1-5,14H.
What are the key properties of N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide?
N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide has a molecular weight of 374.67 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoselenadiazol-4-yl)-2-chloropyrimidine-5-sulfonamide is sourced from PubChem (CID 61051628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).