4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide

C22H22ClN3O2S — CID 173255445

IUPAC4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H22ClN3O2S/c23-18-6-8-20(9-7-18)25-14-16-26(17-15-25)21-10-12-22(13-11-21)29(27,28)24-19-4-2-1-3-5-19/h1-13,24H,14-17H2
InChIKeyGFHLYPANYZXWKC-UHFFFAOYSA-N
MW427.96 g/mol
LogP4.47
Rot. Bonds5

About 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide

4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide (PubChem CID 173255445) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
PubChem CID173255445
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C22H22ClN3O2S/c23-18-6-8-20(9-7-18)25-14-16-26(17-15-25)21-10-12-22(13-11-21)29(27,28)24-19-4-2-1-3-5-19/h1-13,24H,14-17H2
InChIKeyGFHLYPANYZXWKC-UHFFFAOYSA-N
XLogP4.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(4-formylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112981742
4-[4-(phenylsulfamoyl)phenyl]piperazine-1-carboxylic acid
CID 155045949
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]benzenesulfonamide
CID 112983361
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
N-phenyl-4-(2,2,6,6-tetradeuteriopiperazin-1-yl)benzenesulfonamide
CID 135315096
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chlorobenzenesulfonamide
CID 1056916
3-(benzenesulfonamido)-4-[4-(4-chlorophenyl)piperazin-1-yl]benzoic acid
CID 46291835
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
N-(3,5-dichlorophenyl)-4-piperazin-1-ylbenzenesulfonamide
CID 126622029
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide (CID 173255445) is 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide is O=S(=O)(Nc1ccccc1)c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide?
The InChIKey is GFHLYPANYZXWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-18-6-8-20(9-7-18)25-14-16-26(17-15-25)21-10-12-22(13-11-21)29(27,28)24-19-4-2-1-3-5-19/h1-13,24H,14-17H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide?
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide has a molecular weight of 427.96 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 173255445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).