3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C20H23BrN2O4S — CID 17073769

IUPAC3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrN2O4S/c1-2-27-19-11-6-15(14-18(19)21)20(24)22-16-7-9-17(10-8-16)28(25,26)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyMFHLESWTRIMGKK-UHFFFAOYSA-N
MW467.39 g/mol
LogP4.27
Rot. Bonds6

About 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 17073769) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID17073769
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrN2O4S/c1-2-27-19-11-6-15(14-18(19)21)20(24)22-16-7-9-17(10-8-16)28(25,26)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyMFHLESWTRIMGKK-UHFFFAOYSA-N
XLogP4.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-hexoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4959480
3-bromo-5-ethoxy-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2576501
3,4,5-triethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1077830
3-bromo-N-(4-morpholin-4-ylsulfonylphenyl)-4-propoxybenzamide
CID 17342731
3-bromo-4-butoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 4955793
3-bromo-4-hexoxy-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4959765
3-bromo-4-hexoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 4959772
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide
CID 17339653
4-chloro-N-(3,4-diethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 42090593
3,4-diethoxy-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17256634
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4-diethoxyphenyl)acetamide
CID 1013771

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 17073769) is 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MFHLESWTRIMGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-2-27-19-11-6-15(14-18(19)21)20(24)22-16-7-9-17(10-8-16)28(25,26)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24).
What are the key properties of 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 467.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 17073769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).