N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide

C12H17ClN2O2S — CID 971464

IUPACN-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-18(16,17)14-10-5-6-12(11(13)9-10)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyAXWUWUSKVHWDIS-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.70
Rot. Bonds3

About N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide

N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide (PubChem CID 971464) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide
PubChem CID971464
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H17ClN2O2S/c1-18(16,17)14-10-5-6-12(11(13)9-10)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyAXWUWUSKVHWDIS-UHFFFAOYSA-N
XLogP2.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.70
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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide (CID 971464) is N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide?
The InChIKey is AXWUWUSKVHWDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-18(16,17)14-10-5-6-12(11(13)9-10)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide?
N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-piperidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 971464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).