1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C19H19BrCl2N2O3S — CID 44591943

IUPAC1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H19BrCl2N2O3S/c20-16-3-1-2-4-18(16)28(26,27)24-9-7-13(8-10-24)19(25)23-12-14-5-6-15(21)11-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyLWSQIESXJKBWRB-UHFFFAOYSA-N
MW506.25 g/mol
LogP4.47
Rot. Bonds5

About 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 44591943) has the molecular formula C19H19BrCl2N2O3S and a molecular weight of 506.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID44591943
Molecular FormulaC19H19BrCl2N2O3S
Molecular Weight506.25 g/mol
Exact Mass503.97
IUPAC Name1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H19BrCl2N2O3S/c20-16-3-1-2-4-18(16)28(26,27)24-9-7-13(8-10-24)19(25)23-12-14-5-6-15(21)11-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyLWSQIESXJKBWRB-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-(mesitylsulfonyl)-4-piperidinecarboxamide
CID 1306384
N-(2,4-dichlorobenzyl)-1-(2-fluorophenylsulfonyl)piperidine-4-carboxamide
CID 27646915
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327917
N-(3-((4-chlorobenzyl)amino)-3-oxopropyl)-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17584672
N-(2,4-dichlorobenzyl)-1-(2,4-dimethylphenylsulfonyl)piperidine-4-carboxamide
CID 26711882
1-(4-tert-butylphenylsulfonyl)-N-(2,4-dichlorobenzyl)piperidine-4-carboxamide
CID 44591947
1-(4-chloro-2,5-dimethylphenylsulfonyl)-N-(2,4-dichlorobenzyl)piperidine-4-carboxamide
CID 44591948
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 44591943) is 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is LWSQIESXJKBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrCl2N2O3S/c20-16-3-1-2-4-18(16)28(26,27)24-9-7-13(8-10-24)19(25)23-12-14-5-6-15(21)11-17(14)22/h1-6,11,13H,7-10,12H2,(H,23,25).
What are the key properties of 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-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 1-(2-bromophenyl)sulfonyl-N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 44591943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).