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

C20H24ClN3O3S — CID 1137013

IUPACN-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C20H24ClN3O3S/c1-16-18(21)9-6-10-19(16)24(28(2,26)27)15-20(25)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-10H,11-15H2,1-2H3
InChIKeyIWMOEFKICNYEPK-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.76
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 1137013) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID1137013
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C20H24ClN3O3S/c1-16-18(21)9-6-10-19(16)24(28(2,26)27)15-20(25)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-10H,11-15H2,1-2H3
InChIKeyIWMOEFKICNYEPK-UHFFFAOYSA-N
XLogP2.76
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2,3-dichlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
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N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
N-(2,3-dichlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1321606
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2,5-dichlorophenyl)methanesulfonamide
CID 982842
N-(2-chlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 765932
N-(3-chloro-2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
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N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1148586
N-(3-chloro-2-methylphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide
CID 7457407
N-(3-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
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N-(2,6-dichlorophenyl)-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide (CID 1137013) is N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is Cc1c(Cl)cccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is IWMOEFKICNYEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-16-18(21)9-6-10-19(16)24(28(2,26)27)15-20(25)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-10H,11-15H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide?
N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 1137013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).