2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide

C19H21BrClN3O3S — CID 41349918

IUPAC2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br
InChIInChI=1S/C19H21BrClN3O3S/c20-18-4-2-1-3-17(18)19(25)22-9-14-28(26,27)24-12-10-23(11-13-24)16-7-5-15(21)6-8-16/h1-8H,9-14H2,(H,22,25)
InChIKeyWQSOMCLCEDMYTM-UHFFFAOYSA-N
MW486.82 g/mol
LogP2.98
Rot. Bonds6

About 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide

2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide (PubChem CID 41349918) has the molecular formula C19H21BrClN3O3S and a molecular weight of 486.82 g/mol. Its IUPAC name is 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
PubChem CID41349918
Molecular FormulaC19H21BrClN3O3S
Molecular Weight486.82 g/mol
Exact Mass485.02
IUPAC Name2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
SMILESO=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br
InChIInChI=1S/C19H21BrClN3O3S/c20-18-4-2-1-3-17(18)19(25)22-9-14-28(26,27)24-12-10-23(11-13-24)16-7-5-15(21)6-8-16/h1-8H,9-14H2,(H,22,25)
InChIKeyWQSOMCLCEDMYTM-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.82
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 41349937
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 41349917
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-phenylbenzamide
CID 41349940
2-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 41349884
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]propanamide
CID 41349860
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 41349861
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-nitrobenzamide
CID 16825838
5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]-2-methoxybenzamide
CID 22578842
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]-3-nitrobenzamide
CID 41349933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide (CID 41349918) is 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide is O=C(NCCS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
The InChIKey is WQSOMCLCEDMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O3S/c20-18-4-2-1-3-17(18)19(25)22-9-14-28(26,27)24-12-10-23(11-13-24)16-7-5-15(21)6-8-16/h1-8H,9-14H2,(H,22,25).
What are the key properties of 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide?
2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide has a molecular weight of 486.82 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 41349918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).