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

C19H18BrN3O3S — CID 43033280

IUPACN-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C19H18BrN3O3S/c20-14-6-3-7-15(11-14)21-19(24)13-5-4-10-23(12-13)18-16-8-1-2-9-17(16)27(25,26)22-18/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,24)
InChIKeyJIRQNMKIXHIFFZ-UHFFFAOYSA-N
MW448.34 g/mol
LogP3.25
Rot. Bonds2

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

N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (PubChem CID 43033280) has the molecular formula C19H18BrN3O3S and a molecular weight of 448.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
PubChem CID43033280
Molecular FormulaC19H18BrN3O3S
Molecular Weight448.34 g/mol
Exact Mass447.03
IUPAC NameN-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
InChIInChI=1S/C19H18BrN3O3S/c20-14-6-3-7-15(11-14)21-19(24)13-5-4-10-23(12-13)18-16-8-1-2-9-17(16)27(25,26)22-18/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,24)
InChIKeyJIRQNMKIXHIFFZ-UHFFFAOYSA-N
XLogP3.25
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3,5-difluorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 26003328
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-iodophenyl)piperidine-3-carboxamide
CID 43033294
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033278
N-(4-carbamoyl-3-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 56518419
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 55405268
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 46610054
(3S)-N-cyclopropyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 8850280
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-hydroxy-4-methylphenyl)piperidine-3-carboxamide
CID 8897495
1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43033285
N-(4-chloro-2-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
CID 43033293
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 8646507
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-3-carboxamide
CID 26231694

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (CID 43033280) is N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1.
What is the InChIKey of N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?
The InChIKey is JIRQNMKIXHIFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3S/c20-14-6-3-7-15(11-14)21-19(24)13-5-4-10-23(12-13)18-16-8-1-2-9-17(16)27(25,26)22-18/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,24).
What are the key properties of N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?
N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide has a molecular weight of 448.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43033280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).