4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C15H25ClN2O3S — CID 120725107

IUPAC4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1c(C)cc(S(=O)(=O)NC2CCNCC2C)cc1C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10-7-13(8-11(2)15(10)20-4)21(18,19)17-14-5-6-16-9-12(14)3;/h7-8,12,14,16-17H,5-6,9H2,1-4H3;1H
InChIKeyZUSUEYQQIASODH-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.01
Rot. Bonds4

About 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120725107) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120725107
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC Name4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1c(C)cc(S(=O)(=O)NC2CCNCC2C)cc1C.Cl
InChIInChI=1S/C15H24N2O3S.ClH/c1-10-7-13(8-11(2)15(10)20-4)21(18,19)17-14-5-6-16-9-12(14)3;/h7-8,12,14,16-17H,5-6,9H2,1-4H3;1H
InChIKeyZUSUEYQQIASODH-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
3-fluoro-4-methoxy-N-(3-methylpiperidin-4-yl)-5-nitrobenzenesulfonamide;hydrochloride
CID 120725233
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120724685
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120725107) is 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is COc1c(C)cc(S(=O)(=O)NC2CCNCC2C)cc1C.Cl.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is ZUSUEYQQIASODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S.ClH/c1-10-7-13(8-11(2)15(10)20-4)21(18,19)17-14-5-6-16-9-12(14)3;/h7-8,12,14,16-17H,5-6,9H2,1-4H3;1H.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 348.90 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120725107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).