N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide

C12H18N2O4S2 — CID 785206

IUPACN-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-19(15,16)13-11-5-7-12(8-6-11)20(17,18)14-9-3-2-4-10-14/h5-8,13H,2-4,9-10H2,1H3
InChIKeyGWGSXPMDRSXVLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.23
Rot. Bonds4

About N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide

N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide (PubChem CID 785206) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide
PubChem CID785206
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C12H18N2O4S2/c1-19(15,16)13-11-5-7-12(8-6-11)20(17,18)14-9-3-2-4-10-14/h5-8,13H,2-4,9-10H2,1H3
InChIKeyGWGSXPMDRSXVLO-UHFFFAOYSA-N
XLogP1.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide (CID 785206) is N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
The InChIKey is GWGSXPMDRSXVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-19(15,16)13-11-5-7-12(8-6-11)20(17,18)14-9-3-2-4-10-14/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide?
N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 785206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).