4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C17H28N2O3S — CID 16887570

IUPAC4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-13(2)19-9-7-15(8-10-19)12-18-23(20,21)17-6-5-16(22-4)11-14(17)3/h5-6,11,13,15,18H,7-10,12H2,1-4H3
InChIKeyZIRSXIRFDMBERD-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.40
Rot. Bonds6

About 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887570) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887570
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)c(C)c1
InChIInChI=1S/C17H28N2O3S/c1-13(2)19-9-7-15(8-10-19)12-18-23(20,21)17-6-5-16(22-4)11-14(17)3/h5-6,11,13,15,18H,7-10,12H2,1-4H3
InChIKeyZIRSXIRFDMBERD-UHFFFAOYSA-N
XLogP2.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887570) is 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is ZIRSXIRFDMBERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-13(2)19-9-7-15(8-10-19)12-18-23(20,21)17-6-5-16(22-4)11-14(17)3/h5-6,11,13,15,18H,7-10,12H2,1-4H3.
What are the key properties of 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).