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

C19H20N4O3S2 — CID 34043894

IUPAC1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H20N4O3S2/c20-28(25,26)15-7-5-14(6-8-15)21-18(24)13-9-11-23(12-10-13)19-22-16-3-1-2-4-17(16)27-19/h1-8,13H,9-12H2,(H,21,24)(H2,20,25,26)
InChIKeyJADUWHMZOBBDFU-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.80
Rot. Bonds4

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

1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (PubChem CID 34043894) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
PubChem CID34043894
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H20N4O3S2/c20-28(25,26)15-7-5-14(6-8-15)21-18(24)13-9-11-23(12-10-13)19-22-16-3-1-2-4-17(16)27-19/h1-8,13H,9-12H2,(H,21,24)(H2,20,25,26)
InChIKeyJADUWHMZOBBDFU-UHFFFAOYSA-N
XLogP2.80
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 90609323
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
1-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 90609326
1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 90609420
butyl 4-[[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90609345
N-(4-acetamidophenyl)-1-(1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604030
1-(1,3-benzothiazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]azetidine-3-carboxamide
CID 90604098
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 90609783
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1455381
4-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 27869090

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide (CID 34043894) is 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
The InChIKey is JADUWHMZOBBDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c20-28(25,26)15-7-5-14(6-8-15)21-18(24)13-9-11-23(12-10-13)19-22-16-3-1-2-4-17(16)27-19/h1-8,13H,9-12H2,(H,21,24)(H2,20,25,26).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 34043894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).