4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C17H29ClN2O4S — CID 134006739

IUPAC4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2C)CC1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-5-8-19-9-6-14(7-10-19)18-24(20,21)17-12-16(23-4)15(22-3)11-13(17)2;/h11-12,14,18H,5-10H2,1-4H3;1H
InChIKeyIZVZSGHOQALYPN-UHFFFAOYSA-N
MW392.95 g/mol
LogP2.59
Rot. Bonds7

About 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 134006739) has the molecular formula C17H29ClN2O4S and a molecular weight of 392.95 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID134006739
Molecular FormulaC17H29ClN2O4S
Molecular Weight392.95 g/mol
Exact Mass392.15
IUPAC Name4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2C)CC1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-5-8-19-9-6-14(7-10-19)18-24(20,21)17-12-16(23-4)15(22-3)11-13(17)2;/h11-12,14,18H,5-10H2,1-4H3;1H
InChIKeyIZVZSGHOQALYPN-UHFFFAOYSA-N
XLogP2.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-4,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 134006741
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
2,5-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 60664808
5-amino-4-bromo-N-(1-ethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114625369
2,4-dibromo-N-(1-propylpiperidin-4-yl)benzenesulfonamide
CID 61059201
5-bromo-N-(1-butylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 60553034
2,5-dimethoxy-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzenesulfonamide
CID 131918128
4-methoxy-2-methyl-5-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707629
4-methylsulfonyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 55538300
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 134006739) is 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2C)CC1.Cl.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is IZVZSGHOQALYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S.ClH/c1-5-8-19-9-6-14(7-10-19)18-24(20,21)17-12-16(23-4)15(22-3)11-13(17)2;/h11-12,14,18H,5-10H2,1-4H3;1H.
What are the key properties of 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-(1-propylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 134006739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).