4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C17H28N2O3S — CID 3845128

IUPAC4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C17H28N2O3S/c1-12-11-16(22-6)13(2)14(3)17(12)23(20,21)19(5)15-7-9-18(4)10-8-15/h11,15H,7-10H2,1-6H3
InChIKeyLRZNITRZOZGENS-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.34
Rot. Bonds4

About 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 3845128) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID3845128
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C17H28N2O3S/c1-12-11-16(22-6)13(2)14(3)17(12)23(20,21)19(5)15-7-9-18(4)10-8-15/h11,15H,7-10H2,1-6H3
InChIKeyLRZNITRZOZGENS-UHFFFAOYSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 3845128) is 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)C2CCN(C)CC2)c(C)c1C.
What is the InChIKey of 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is LRZNITRZOZGENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-12-11-16(22-6)13(2)14(3)17(12)23(20,21)19(5)15-7-9-18(4)10-8-15/h11,15H,7-10H2,1-6H3.
What are the key properties of 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 3845128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).