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

C12H17ClN2O2S — CID 54546818

IUPAC1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H17ClN2O2S/c13-10-18(16,17)14-11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7,14H,1-3,8-10H2
InChIKeyOCPWFYYCZWSPSY-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.61
Rot. Bonds4

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

1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide (PubChem CID 54546818) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
PubChem CID54546818
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide
SMILESO=S(=O)(CCl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H17ClN2O2S/c13-10-18(16,17)14-11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7,14H,1-3,8-10H2
InChIKeyOCPWFYYCZWSPSY-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 63666007
1-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]methanesulfonamide
CID 63665951
2-(azocan-1-yl)-2-oxo-N-(4-piperidin-1-ylphenyl)ethanesulfonamide
CID 51127345
1-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512776
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
1-(2,4-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)methanesulfonamide
CID 100512787
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
CID 106062321
1-chloro-N-[4-[4-(chloromethylsulfonylamino)phenyl]phenyl]methanesulfonamide
CID 163924454
2,3,4,5,6-pentamethyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 3703667
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide (CID 54546818) is 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide is O=S(=O)(CCl)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
The InChIKey is OCPWFYYCZWSPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-10-18(16,17)14-11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7,14H,1-3,8-10H2.
What are the key properties of 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide?
1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-piperidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 54546818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).