4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

C24H25ClN2O2S — CID 71624432

IUPAC4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O2S/c25-21-11-15-24(16-12-21)30(28,29)27(23-7-3-1-4-8-23)19-20-9-13-22(14-10-20)26-17-5-2-6-18-26/h1,3-4,7-16H,2,5-6,17-19H2
InChIKeyHNBCLYRQPDYRSL-UHFFFAOYSA-N
MW441.00 g/mol
LogP5.73
Rot. Bonds6

About 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 71624432) has the molecular formula C24H25ClN2O2S and a molecular weight of 441.00 g/mol. Its IUPAC name is 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID71624432
Molecular FormulaC24H25ClN2O2S
Molecular Weight441.00 g/mol
Exact Mass440.13
IUPAC Name4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C24H25ClN2O2S/c25-21-11-15-24(16-12-21)30(28,29)27(23-7-3-1-4-8-23)19-20-9-13-22(14-10-20)26-17-5-2-6-18-26/h1,3-4,7-16H,2,5-6,17-19H2
InChIKeyHNBCLYRQPDYRSL-UHFFFAOYSA-N
XLogP5.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.00
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510895
N-benzyl-N-(3-bromophenyl)-4-chlorobenzenesulfonamide
CID 46021781
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100510670
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552043
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
4-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N,N-diphenylbenzamide
CID 102095863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide (CID 71624432) is 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is HNBCLYRQPDYRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2S/c25-21-11-15-24(16-12-21)30(28,29)27(23-7-3-1-4-8-23)19-20-9-13-22(14-10-20)26-17-5-2-6-18-26/h1,3-4,7-16H,2,5-6,17-19H2.
What are the key properties of 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide?
4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 441.00 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71624432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).