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

C19H18ClN3O3S — CID 26574894

IUPACN-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C19H18ClN3O3S/c20-15-6-2-3-7-16(15)21-19(24)13-9-11-23(12-10-13)18-14-5-1-4-8-17(14)27(25,26)22-18/h1-8,13H,9-12H2,(H,21,24)
InChIKeyAWXFBXSANFMRHH-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.14
Rot. Bonds2

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

N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (PubChem CID 26574894) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
PubChem CID26574894
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C19H18ClN3O3S/c20-15-6-2-3-7-16(15)21-19(24)13-9-11-23(12-10-13)18-14-5-1-4-8-17(14)27(25,26)22-18/h1-8,13H,9-12H2,(H,21,24)
InChIKeyAWXFBXSANFMRHH-UHFFFAOYSA-N
XLogP3.14
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide (CID 26574894) is N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is O=C(Nc1ccccc1Cl)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
The InChIKey is AWXFBXSANFMRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c20-15-6-2-3-7-16(15)21-19(24)13-9-11-23(12-10-13)18-14-5-1-4-8-17(14)27(25,26)22-18/h1-8,13H,9-12H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide?
N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26574894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).