N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

C19H22BrN3O3S — CID 1000784

IUPACN-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C19H22BrN3O3S/c1-27(25,26)23(18-9-5-6-16(20)14-18)15-19(24)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyPUBSPRZXVRZRAA-UHFFFAOYSA-N
MW452.37 g/mol
LogP2.56
Rot. Bonds5

About N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide

N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 1000784) has the molecular formula C19H22BrN3O3S and a molecular weight of 452.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID1000784
Molecular FormulaC19H22BrN3O3S
Molecular Weight452.37 g/mol
Exact Mass451.06
IUPAC NameN-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Br)c1
InChIInChI=1S/C19H22BrN3O3S/c1-27(25,26)23(18-9-5-6-16(20)14-18)15-19(24)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyPUBSPRZXVRZRAA-UHFFFAOYSA-N
XLogP2.56
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
4-bromo-N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}benzenesulfonamide
CID 1006492
N-cyclohexyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1021983
N-Cyclohexyl-N-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-methanesulfonamide
CID 1021985
N-(4-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 1095013
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide
CID 1129527
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-bromophenyl)methanesulfonamide
CID 1339092
2-(3-bromo-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 2272992
N-(3-bromophenyl)-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2956678
N-(4-bromophenyl)-2-[4-(piperidylsulfonyl)piperazinyl]acetamide
CID 2991371
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1021972

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (CID 1000784) is N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is PUBSPRZXVRZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3S/c1-27(25,26)23(18-9-5-6-16(20)14-18)15-19(24)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 452.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 1000784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).