1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

C14H19BrN2O5S — CID 15944023

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OC)cc1Br
InChIInChI=1S/C14H19BrN2O5S/c1-21-11-8-13(12(22-2)7-10(11)15)23(19,20)17-5-3-9(4-6-17)14(16)18/h7-9H,3-6H2,1-2H3,(H2,16,18)
InChIKeyQHUGMPIFJZGXAV-UHFFFAOYSA-N
MW407.29 g/mol
LogP1.35
Rot. Bonds5

About 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide

1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 15944023) has the molecular formula C14H19BrN2O5S and a molecular weight of 407.29 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID15944023
Molecular FormulaC14H19BrN2O5S
Molecular Weight407.29 g/mol
Exact Mass406.02
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OC)cc1Br
InChIInChI=1S/C14H19BrN2O5S/c1-21-11-8-13(12(22-2)7-10(11)15)23(19,20)17-5-3-9(4-6-17)14(16)18/h7-9H,3-6H2,1-2H3,(H2,16,18)
InChIKeyQHUGMPIFJZGXAV-UHFFFAOYSA-N
XLogP1.35
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 991876
1-[(4-Bromo-2,5-dimethoxyphenyl)sulfonyl]-4-methylpiperazine
CID 660834
1-(4-Bromo-2,5-dimethoxyphenyl)sulfonylazepane
CID 566593
1-[(5-Bromo-2-ethoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 2378712
1-(4-Bromo-2,5-dimethoxybenzenesulfonyl)piperidine
CID 1143554
1-[(3-Bromo-4-methoxyphenyl)sulfonyl]piperidine-4-carboxamide
CID 1076365
4-bromo-N-(3-(dimethylamino)propyl)-2,5-dimethoxybenzenesulfonamide
CID 8721951
4-bromo-2,5-dimethoxy-N-(3-morpholinopropyl)benzenesulfonamide
CID 16644709
N-tert-butyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1091415
1-(2,5-dimethoxyphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 1091450
1-(2,5-Dimethoxybenzenesulfonyl)piperidine-4-carboxamide
CID 709843
1-[1-(4-Bromo-5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 120709149

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 15944023) is 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QHUGMPIFJZGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O5S/c1-21-11-8-13(12(22-2)7-10(11)15)23(19,20)17-5-3-9(4-6-17)14(16)18/h7-9H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 407.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 15944023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).