[4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C21H24ClN3O3S — CID 1297596

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O3S/c22-18-4-3-5-19(16-18)23-12-14-24(15-13-23)21(26)17-6-8-20(9-7-17)29(27,28)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2
InChIKeyNZOYQLKOTJSOIJ-UHFFFAOYSA-N
MW433.96 g/mol
LogP3.09
Rot. Bonds4

About [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 1297596) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID1297596
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O3S/c22-18-4-3-5-19(16-18)23-12-14-24(15-13-23)21(26)17-6-8-20(9-7-17)29(27,28)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2
InChIKeyNZOYQLKOTJSOIJ-UHFFFAOYSA-N
XLogP3.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide
CID 44160268
4-chloro-3-[(4-chlorophenyl)-methylsulfamoyl]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 2485627
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
2-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 164618208
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
N-benzyl-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4789349
4-[(4-methyl-1-piperazinyl)sulfonyl]-N-phenylbenzamide
CID 1262873
1-(3-Chloro-phenyl)-4-(4-methanesulfonyl-phenyl)-3-phenyl-1,5-dihydro-pyrrol-2-one
CID 44293477
N-(4-Chloro-benzyl)-N-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-methanesulfonamide
CID 651717
N-phenyl-4-piperidin-1-ylsulfonylbenzamide
CID 765575

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 1297596) is [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is NZOYQLKOTJSOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c22-18-4-3-5-19(16-18)23-12-14-24(15-13-23)21(26)17-6-8-20(9-7-17)29(27,28)25-10-1-2-11-25/h3-9,16H,1-2,10-15H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 433.96 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 1297596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).