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

C20H23ClFN3O3S — CID 1312767

IUPACN-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H23ClFN3O3S/c1-15-7-8-16(13-17(15)21)25(29(2,27)28)14-20(26)24-11-9-23(10-12-24)19-6-4-3-5-18(19)22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyHJIDRRLQKVJHII-UHFFFAOYSA-N
MW439.94 g/mol
LogP2.90
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 1312767) has the molecular formula C20H23ClFN3O3S and a molecular weight of 439.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID1312767
Molecular FormulaC20H23ClFN3O3S
Molecular Weight439.94 g/mol
Exact Mass439.11
IUPAC NameN-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H23ClFN3O3S/c1-15-7-8-16(13-17(15)21)25(29(2,27)28)14-20(26)24-11-9-23(10-12-24)19-6-4-3-5-18(19)22/h3-8,13H,9-12,14H2,1-2H3
InChIKeyHJIDRRLQKVJHII-UHFFFAOYSA-N
XLogP2.90
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-(5-Chloro-2-methylphenyl)methylsulfonamido)-N-(2,6-difluorophenyl)acetamide
CID 2210370
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1003584
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-(3-chloro-4-methylphenyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]methanesulfonamide
CID 846437
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
2-[(3-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44580808
2-[(2-Chloro-benzenesulfonyl)-p-tolyl-amino]-N,N-diethyl-acetamide
CID 44581170
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-1-(2-chlorophenyl)-N-cyclobutylmethanesulfonamide
CID 71612302
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-1-(3-chlorophenyl)-N-cyclobutylmethanesulfonamide
CID 71612419

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (CID 1312767) is N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is Cc1ccc(N(CC(=O)N2CCN(c3ccccc3F)CC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is HJIDRRLQKVJHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3S/c1-15-7-8-16(13-17(15)21)25(29(2,27)28)14-20(26)24-11-9-23(10-12-24)19-6-4-3-5-18(19)22/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 439.94 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1312767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).