4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C17H28N2O3S — CID 110753463

IUPAC4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCN2CCCCC2)cc1C
InChIInChI=1S/C17H28N2O3S/c1-14-13-17(15(2)12-16(14)22-4)23(20,21)18(3)10-11-19-8-6-5-7-9-19/h12-13H,5-11H2,1-4H3
InChIKeyFJRSUMKFFZZKFV-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.42
Rot. Bonds6

About 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide

4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 110753463) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID110753463
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCN2CCCCC2)cc1C
InChIInChI=1S/C17H28N2O3S/c1-14-13-17(15(2)12-16(14)22-4)23(20,21)18(3)10-11-19-8-6-5-7-9-19/h12-13H,5-11H2,1-4H3
InChIKeyFJRSUMKFFZZKFV-UHFFFAOYSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 110753463) is 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCN2CCCCC2)cc1C.
What is the InChIKey of 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is FJRSUMKFFZZKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-14-13-17(15(2)12-16(14)22-4)23(20,21)18(3)10-11-19-8-6-5-7-9-19/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110753463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).