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

C19H21ClFN3O3S — CID 1304744

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21ClFN3O3S/c1-28(26,27)24(18-7-3-5-16(21)13-18)14-19(25)23-10-8-22(9-11-23)17-6-2-4-15(20)12-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyASWIYHPDPJUGAL-UHFFFAOYSA-N
MW425.91 g/mol
LogP2.59
Rot. Bonds5

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

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (PubChem CID 1304744) has the molecular formula C19H21ClFN3O3S and a molecular weight of 425.91 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
PubChem CID1304744
Molecular FormulaC19H21ClFN3O3S
Molecular Weight425.91 g/mol
Exact Mass425.10
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1
InChIInChI=1S/C19H21ClFN3O3S/c1-28(26,27)24(18-7-3-5-16(21)13-18)14-19(25)23-10-8-22(9-11-23)17-6-2-4-15(20)12-17/h2-7,12-13H,8-11,14H2,1H3
InChIKeyASWIYHPDPJUGAL-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide (CID 1304744) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
The InChIKey is ASWIYHPDPJUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3S/c1-28(26,27)24(18-7-3-5-16(21)13-18)14-19(25)23-10-8-22(9-11-23)17-6-2-4-15(20)12-17/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)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-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 1304744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).