N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide

C17H26N2O3S — CID 3129560

IUPACN,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-15-8-10-16(11-9-15)23(21,22)18(2)12-6-7-17(20)19-13-4-3-5-14-19/h8-11H,3-7,12-14H2,1-2H3
InChIKeyLFVCSKPBFBZRLY-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.41
Rot. Bonds6

About N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide

N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide (PubChem CID 3129560) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide
PubChem CID3129560
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c1-15-8-10-16(11-9-15)23(21,22)18(2)12-6-7-17(20)19-13-4-3-5-14-19/h8-11H,3-7,12-14H2,1-2H3
InChIKeyLFVCSKPBFBZRLY-UHFFFAOYSA-N
XLogP2.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide (CID 3129560) is N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCCCC2)cc1.
What is the InChIKey of N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide?
The InChIKey is LFVCSKPBFBZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15-8-10-16(11-9-15)23(21,22)18(2)12-6-7-17(20)19-13-4-3-5-14-19/h8-11H,3-7,12-14H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide?
N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-oxo-4-piperidin-1-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 3129560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).