N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide

C19H19BrCl2N2O3S — CID 146416015

IUPACN-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H19BrCl2N2O3S/c20-15-3-1-13(2-4-15)12-23-19(25)14-5-7-24(8-6-14)28(26,27)18-10-16(21)9-17(22)11-18/h1-4,9-11,14H,5-8,12H2,(H,23,25)
InChIKeyCMAXTRCVIMYGTA-UHFFFAOYSA-N
MW506.25 g/mol
LogP4.47
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide

N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 146416015) has the molecular formula C19H19BrCl2N2O3S and a molecular weight of 506.25 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID146416015
Molecular FormulaC19H19BrCl2N2O3S
Molecular Weight506.25 g/mol
Exact Mass503.97
IUPAC NameN-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H19BrCl2N2O3S/c20-15-3-1-13(2-4-15)12-23-19(25)14-5-7-24(8-6-14)28(26,27)18-10-16(21)9-17(22)11-18/h1-4,9-11,14H,5-8,12H2,(H,23,25)
InChIKeyCMAXTRCVIMYGTA-UHFFFAOYSA-N
XLogP4.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
1-(2-bromophenylsulfonyl)-N-(2,4-dichlorobenzyl)piperidine-4-carboxamide
CID 44591943
4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]-N-butylcyclohexane-1-carboxamide
CID 45488331
3-(4-Bromobenzenesulfonamido)-N-[(4-chlorophenyl)methyl]propanamide
CID 4284597
Antimalarial agent 17
CID 1077666
1-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1083743
N-(3-((2,4-dichlorobenzyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17584591
N-(2,4-dichlorobenzyl)-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1304850
1-(4-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 44591900
N-[6-[(4-bromophenyl)methylamino]hexyl]-2,6-dichlorobenzenesulfonamide
CID 168271158
N-[6-[(4-bromophenyl)methylamino]hexyl]-3,5-dichlorobenzenesulfonamide
CID 168276540

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide (CID 146416015) is N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is CMAXTRCVIMYGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2N2O3S/c20-15-3-1-13(2-4-15)12-23-19(25)14-5-7-24(8-6-14)28(26,27)18-10-16(21)9-17(22)11-18/h1-4,9-11,14H,5-8,12H2,(H,23,25).
What are the key properties of N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 506.25 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 146416015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).