N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

C19H21ClFN3O3S — CID 2290501

IUPACN-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O3S/c1-28(26,27)24(18-4-2-3-15(20)13-18)14-19(25)23-11-9-22(10-12-23)17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyOBONBYSHMIXXJH-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.59
Rot. Bonds5

About N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 2290501) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID2290501
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClFN3O3S/c1-28(26,27)24(18-4-2-3-15(20)13-18)14-19(25)23-11-9-22(10-12-23)17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3
InChIKeyOBONBYSHMIXXJH-UHFFFAOYSA-N
XLogP2.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.91
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
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N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
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N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
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N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
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2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
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1-(2-(4-(3-Chlorophenyl)piperazin-1-yl)acetyl)piperidine (4c)
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N-(tert-Butylcarbamoyl-methyl)-N-(3-chloro-4-fluoro-phenyl)-2-[(4-fluoro-phenylcarbamoyl)-methanesulfinyl]-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (CID 2290501) is N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is OBONBYSHMIXXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c1-28(26,27)24(18-4-2-3-15(20)13-18)14-19(25)23-11-9-22(10-12-23)17-7-5-16(21)6-8-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 425.91 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 2290501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).