N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide

C19H21BrClN3O3S — CID 27185823

IUPACN-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(Br)c1
InChIInChI=1S/C19H21BrClN3O3S/c1-14-5-6-18(17(20)11-14)22-19(25)13-23-7-9-24(10-8-23)28(26,27)16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKeyITGOKUIIPYHQQR-UHFFFAOYSA-N
MW486.82 g/mol
LogP3.36
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide

N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 27185823) has the molecular formula C19H21BrClN3O3S and a molecular weight of 486.82 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID27185823
Molecular FormulaC19H21BrClN3O3S
Molecular Weight486.82 g/mol
Exact Mass485.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(Br)c1
InChIInChI=1S/C19H21BrClN3O3S/c1-14-5-6-18(17(20)11-14)22-19(25)13-23-7-9-24(10-8-23)28(26,27)16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKeyITGOKUIIPYHQQR-UHFFFAOYSA-N
XLogP3.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27217788
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 27185929
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46801559
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-(5-chloro-2-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 46801526
N-(4-bromo-2-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27174526
N-(2-bromo-4-methylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266537
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8690942
N-(3-chloro-2-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 31631258
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824648
N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide
CID 42972348

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide (CID 27185823) is N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is ITGOKUIIPYHQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O3S/c1-14-5-6-18(17(20)11-14)22-19(25)13-23-7-9-24(10-8-23)28(26,27)16-4-2-3-15(21)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide?
N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 486.82 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 27185823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).