4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

C19H20N4O3S2 — CID 27869090

IUPAC4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H20N4O3S2/c20-28(25,26)15-7-5-14(6-8-15)21-19(24)23-11-9-13(10-12-23)18-22-16-3-1-2-4-17(16)27-18/h1-8,13H,9-12H2,(H,21,24)(H2,20,25,26)
InChIKeyUCFXWARJAVSDGD-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.36
Rot. Bonds3

About 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide (PubChem CID 27869090) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
PubChem CID27869090
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H20N4O3S2/c20-28(25,26)15-7-5-14(6-8-15)21-19(24)23-11-9-13(10-12-23)18-22-16-3-1-2-4-17(16)27-18/h1-8,13H,9-12H2,(H,21,24)(H2,20,25,26)
InChIKeyUCFXWARJAVSDGD-UHFFFAOYSA-N
XLogP3.36
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide (CID 27869090) is 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
The InChIKey is UCFXWARJAVSDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c20-28(25,26)15-7-5-14(6-8-15)21-19(24)23-11-9-13(10-12-23)18-22-16-3-1-2-4-17(16)27-18/h1-8,13H,9-12H2,(H,21,24)(H2,20,25,26).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 27869090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).