2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C14H23ClN2O4S — CID 120586052

IUPAC2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-10-8-11(6-7-15-10)16-21(17,18)14-9-12(19-2)4-5-13(14)20-3;/h4-5,9-11,15-16H,6-8H2,1-3H3;1H
InChIKeyGQXKNHICRJKLLZ-UHFFFAOYSA-N
MW350.87 g/mol
LogP1.54
Rot. Bonds5

About 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120586052) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120586052
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC Name2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(OC)c(S(=O)(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-10-8-11(6-7-15-10)16-21(17,18)14-9-12(19-2)4-5-13(14)20-3;/h4-5,9-11,15-16H,6-8H2,1-3H3;1H
InChIKeyGQXKNHICRJKLLZ-UHFFFAOYSA-N
XLogP1.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
2-bromo-5-chloro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 120585984
2-methoxy-5-[(2-methylpiperidin-4-yl)sulfamoyl]benzamide;hydrochloride
CID 120585858
4-methoxy-2-methyl-N-(2-methylpiperidin-4-yl)-5-propan-2-ylbenzenesulfonamide
CID 120713778
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
methyl 3-[(2-methylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate;hydrochloride
CID 120585943
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
2-fluoro-4-methyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120585737

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120586052) is 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is COc1ccc(OC)c(S(=O)(=O)NC2CCNC(C)C2)c1.Cl.
What is the InChIKey of 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is GQXKNHICRJKLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-10-8-11(6-7-15-10)16-21(17,18)14-9-12(19-2)4-5-13(14)20-3;/h4-5,9-11,15-16H,6-8H2,1-3H3;1H.
What are the key properties of 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120586052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).