1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide

C18H19BrN2O3S — CID 24604772

IUPAC1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-4-8-17(21)18(22)20-15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,22)
InChIKeyIBLBTVJASHZQAY-UHFFFAOYSA-N
MW423.33 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide

1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide (PubChem CID 24604772) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
PubChem CID24604772
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-4-8-17(21)18(22)20-15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,22)
InChIKeyIBLBTVJASHZQAY-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 1487032
(2R)-1-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)piperidine-2-carboxamide
CID 92887782
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
(2R)-N-(4-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8701358

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide (CID 24604772) is 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide is O=C(Nc1ccccc1)C1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide?
The InChIKey is IBLBTVJASHZQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-4-8-17(21)18(22)20-15-6-2-1-3-7-15/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,20,22).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide has a molecular weight of 423.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 24604772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).