1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide

C18H21ClN2O2S — CID 100512776

IUPAC1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c19-16-6-4-15(5-7-16)14-24(22,23)20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14H2
InChIKeyDMUNNOQTDRZQDE-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide

1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide (PubChem CID 100512776) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
PubChem CID100512776
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H21ClN2O2S/c19-16-6-4-15(5-7-16)14-24(22,23)20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14H2
InChIKeyDMUNNOQTDRZQDE-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512787
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 54546818
1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
(4-piperidin-1-ylphenyl)methanesulfonyl chloride
CID 117437268
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108507754
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1-phenylmethanesulfonamide
CID 110361957
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255
1-(2-chloro-6-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
CID 99971656
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide (CID 100512776) is 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The InChIKey is DMUNNOQTDRZQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c19-16-6-4-15(5-7-16)14-24(22,23)20-17-8-10-18(11-9-17)21-12-2-1-3-13-21/h4-11,20H,1-3,12-14H2.
What are the key properties of 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide has a molecular weight of 364.90 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 100512776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).