(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide

C20H22BrN3O4S — CID 92729209

IUPAC(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C20H22BrN3O4S/c1-22-19(25)15-3-2-12-24(13-15)20(26)14-4-8-17(9-5-14)23-29(27,28)18-10-6-16(21)7-11-18/h4-11,15,23H,2-3,12-13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyVEOBVOWTPFOGJV-OAHLLOKOSA-N
MW480.38 g/mol
LogP2.85
Rot. Bonds5

About (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide

(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 92729209) has the molecular formula C20H22BrN3O4S and a molecular weight of 480.38 g/mol. Its IUPAC name is (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
PubChem CID92729209
Molecular FormulaC20H22BrN3O4S
Molecular Weight480.38 g/mol
Exact Mass479.05
IUPAC Name(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1
InChIInChI=1S/C20H22BrN3O4S/c1-22-19(25)15-3-2-12-24(13-15)20(26)14-4-8-17(9-5-14)23-29(27,28)18-10-6-16(21)7-11-18/h4-11,15,23H,2-3,12-13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyVEOBVOWTPFOGJV-OAHLLOKOSA-N
XLogP2.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-1-[4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 46384573
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(3S)-N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729184
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225
1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50826971
1-[4-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 50826798
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729196
4-(3-aminopiperidine-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 119380159

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide (CID 92729209) is (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1.
What is the InChIKey of (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VEOBVOWTPFOGJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22BrN3O4S/c1-22-19(25)15-3-2-12-24(13-15)20(26)14-4-8-17(9-5-14)23-29(27,28)18-10-6-16(21)7-11-18/h4-11,15,23H,2-3,12-13H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide?
(3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 480.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[(4-bromophenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 92729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).