N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C13H18N4O2S2 — CID 63627876

IUPACN-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1cccc2nsnc12
InChIInChI=1S/C13H18N4O2S2/c18-21(19,15-8-6-10-3-2-7-14-9-10)12-5-1-4-11-13(12)17-20-16-11/h1,4-5,10,14-15H,2-3,6-9H2
InChIKeyFFZOVOKLWCVJOU-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.36
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 63627876) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID63627876
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCCC1CCCNC1)c1cccc2nsnc12
InChIInChI=1S/C13H18N4O2S2/c18-21(19,15-8-6-10-3-2-7-14-9-10)12-5-1-4-11-13(12)17-20-16-11/h1,4-5,10,14-15H,2-3,6-9H2
InChIKeyFFZOVOKLWCVJOU-UHFFFAOYSA-N
XLogP1.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
2-bromo-3-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979225
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 55249577
N-butyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3377484
8-methyl-N-(2-piperidin-3-ylethyl)quinoline-5-sulfonamide;hydrochloride
CID 119979483
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
2,5-dichloro-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide;hydrochloride
CID 119979396
5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119979349
methyl 2-fluoro-6-(2-piperidin-3-ylethylsulfamoyl)benzoate;hydrochloride
CID 119979747

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 63627876) is N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCCC1CCCNC1)c1cccc2nsnc12.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is FFZOVOKLWCVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c18-21(19,15-8-6-10-3-2-7-14-9-10)12-5-1-4-11-13(12)17-20-16-11/h1,4-5,10,14-15H,2-3,6-9H2.
What are the key properties of N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 63627876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).