N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide

C19H19N3O3S2 — CID 4264201

IUPACN-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ncsc2c1
InChIInChI=1S/C19H19N3O3S2/c23-19(14-7-8-17-18(11-14)26-13-20-17)21-15-5-4-6-16(12-15)27(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,21,23)
InChIKeyHUUXSXXWZGWQCS-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.72
Rot. Bonds4

About N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide

N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4264201) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID4264201
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ncsc2c1
InChIInChI=1S/C19H19N3O3S2/c23-19(14-7-8-17-18(11-14)26-13-20-17)21-15-5-4-6-16(12-15)27(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,21,23)
InChIKeyHUUXSXXWZGWQCS-UHFFFAOYSA-N
XLogP3.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide (CID 4264201) is N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ncsc2c1.
What is the InChIKey of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HUUXSXXWZGWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-19(14-7-8-17-18(11-14)26-13-20-17)21-15-5-4-6-16(12-15)27(24,25)22-9-2-1-3-10-22/h4-8,11-13H,1-3,9-10H2,(H,21,23).
What are the key properties of N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide?
N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4264201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).