N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide

C16H21BrN2O4S — CID 108562846

IUPACN-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H21BrN2O4S/c1-12(20)2-7-16(21)18-14-8-10-19(11-9-14)24(22,23)15-5-3-13(17)4-6-15/h3-6,14H,2,7-11H2,1H3,(H,18,21)
InChIKeyFLMASVPFIWUFDQ-UHFFFAOYSA-N
MW417.33 g/mol
LogP2.09
Rot. Bonds6

About N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide

N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide (PubChem CID 108562846) has the molecular formula C16H21BrN2O4S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
PubChem CID108562846
Molecular FormulaC16H21BrN2O4S
Molecular Weight417.33 g/mol
Exact Mass416.04
IUPAC NameN-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H21BrN2O4S/c1-12(20)2-7-16(21)18-14-8-10-19(11-9-14)24(22,23)15-5-3-13(17)4-6-15/h3-6,14H,2,7-11H2,1H3,(H,18,21)
InChIKeyFLMASVPFIWUFDQ-UHFFFAOYSA-N
XLogP2.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735167
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
CID 35400948
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide?
The IUPAC name of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide (CID 108562846) is N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide?
The canonical SMILES for N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide is CC(=O)CCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide?
The InChIKey is FLMASVPFIWUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O4S/c1-12(20)2-7-16(21)18-14-8-10-19(11-9-14)24(22,23)15-5-3-13(17)4-6-15/h3-6,14H,2,7-11H2,1H3,(H,18,21).
What are the key properties of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide?
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide has a molecular weight of 417.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide is sourced from PubChem (CID 108562846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).