N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide

C20H21BrN2O4S — CID 1327585

IUPACN-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O4S/c1-14(24)16-3-2-4-18(13-16)22-20(25)15-9-11-23(12-10-15)28(26,27)19-7-5-17(21)6-8-19/h2-8,13,15H,9-12H2,1H3,(H,22,25)
InChIKeySPTWNHRRSCKRAY-UHFFFAOYSA-N
MW465.37 g/mol
LogP3.69
Rot. Bonds5

About N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide

N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1327585) has the molecular formula C20H21BrN2O4S and a molecular weight of 465.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1327585
Molecular FormulaC20H21BrN2O4S
Molecular Weight465.37 g/mol
Exact Mass464.04
IUPAC NameN-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H21BrN2O4S/c1-14(24)16-3-2-4-18(13-16)22-20(25)15-9-11-23(12-10-15)28(26,27)19-7-5-17(21)6-8-19/h2-8,13,15H,9-12H2,1H3,(H,22,25)
InChIKeySPTWNHRRSCKRAY-UHFFFAOYSA-N
XLogP3.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310
1-(3-acetylphenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9299938
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(4-bromophenyl)sulfonyl-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]piperidine-4-carboxamide
CID 136876982
1-(4-chlorophenyl)sulfonyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 26993774
N-[3-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31239856
1-(4-acetylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide
CID 26695995
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide (CID 1327585) is N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide is CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SPTWNHRRSCKRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4S/c1-14(24)16-3-2-4-18(13-16)22-20(25)15-9-11-23(12-10-15)28(26,27)19-7-5-17(21)6-8-19/h2-8,13,15H,9-12H2,1H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 465.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1327585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).