2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide

C16H22BrCl2N3O3S — CID 37308319

IUPAC2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C16H22BrCl2N3O3S/c1-3-11(2)20-15(23)10-21-4-6-22(7-5-21)26(24,25)16-13(18)8-12(17)9-14(16)19/h8-9,11H,3-7,10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyUWAGFVRMUGFJOJ-NSHDSACASA-N
MW487.25 g/mol
LogP2.98
Rot. Bonds6

About 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide

2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide (PubChem CID 37308319) has the molecular formula C16H22BrCl2N3O3S and a molecular weight of 487.25 g/mol. Its IUPAC name is 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
PubChem CID37308319
Molecular FormulaC16H22BrCl2N3O3S
Molecular Weight487.25 g/mol
Exact Mass484.99
IUPAC Name2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C16H22BrCl2N3O3S/c1-3-11(2)20-15(23)10-21-4-6-22(7-5-21)26(24,25)16-13(18)8-12(17)9-14(16)19/h8-9,11H,3-7,10H2,1-2H3,(H,20,23)/t11-/m0/s1
InChIKeyUWAGFVRMUGFJOJ-NSHDSACASA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747785
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide
CID 46572120
N-butan-2-yl-2-[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46572180
N-[(2R)-butan-2-yl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8758170
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 40941996
2-[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40941994
N-butan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 42913680
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8744101
N-[(2R)-butan-2-yl]-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9443858
2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 9443869
N-[(2R)-3-methylbutan-2-yl]-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8553724
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide?
The IUPAC name of 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide (CID 37308319) is 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide is CC[C@H](C)NC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide?
The InChIKey is UWAGFVRMUGFJOJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H22BrCl2N3O3S/c1-3-11(2)20-15(23)10-21-4-6-22(7-5-21)26(24,25)16-13(18)8-12(17)9-14(16)19/h8-9,11H,3-7,10H2,1-2H3,(H,20,23)/t11-/m0/s1.
What are the key properties of 2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide?
2-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide has a molecular weight of 487.25 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-[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[(2S)-butan-2-yl]acetamide is sourced from PubChem (CID 37308319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).