3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

C15H24N2O4S — CID 16887427

IUPAC3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H24N2O4S/c1-17-8-6-12(7-9-17)11-16-22(18,19)13-4-5-14(20-2)15(10-13)21-3/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeyUBHUFTKDIBWVDO-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.32
Rot. Bonds6

About 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide

3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887427) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887427
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1OC
InChIInChI=1S/C15H24N2O4S/c1-17-8-6-12(7-9-17)11-16-22(18,19)13-4-5-14(20-2)15(10-13)21-3/h4-5,10,12,16H,6-9,11H2,1-3H3
InChIKeyUBHUFTKDIBWVDO-UHFFFAOYSA-N
XLogP1.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
3-amino-4-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60857223
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887449
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
3-chloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887439
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887423
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887427) is 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCN(C)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is UBHUFTKDIBWVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-17-8-6-12(7-9-17)11-16-22(18,19)13-4-5-14(20-2)15(10-13)21-3/h4-5,10,12,16H,6-9,11H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide?
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 328.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).