N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

C15H14N4O3S2 — CID 1188159

IUPACN-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C15H14N4O3S2/c1-2-17-24(21,22)11-5-6-12-13(8-11)23-15(18-12)19-14(20)10-4-3-7-16-9-10/h3-9,17H,2H2,1H3,(H,18,19,20)
InChIKeyZPUVYTZHDDXFFX-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.24
Rot. Bonds5

About N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide (PubChem CID 1188159) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
PubChem CID1188159
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC NameN-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1
InChIInChI=1S/C15H14N4O3S2/c1-2-17-24(21,22)11-5-6-12-13(8-11)23-15(18-12)19-14(20)10-4-3-7-16-9-10/h3-9,17H,2H2,1H3,(H,18,19,20)
InChIKeyZPUVYTZHDDXFFX-UHFFFAOYSA-N
XLogP2.24
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 2147980
N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 1265057
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
CID 55768437
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354
4-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(pyridin-3-ylmethylamino)benzamide
CID 110162755
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
3,4,5-triethoxy-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3615359
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 55765139
4-(diethylsulfamoyl)-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 20932189
N-[6-[bis(2-methylpropyl)sulfamoyl]-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 3301503

Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide (CID 1188159) is N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide is CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1.
What is the InChIKey of N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is ZPUVYTZHDDXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c1-2-17-24(21,22)11-5-6-12-13(8-11)23-15(18-12)19-14(20)10-4-3-7-16-9-10/h3-9,17H,2H2,1H3,(H,18,19,20).
What are the key properties of N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide?
N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1188159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).