4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

C14H23ClN2O3S — CID 120725010

IUPAC4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2C)cc1C.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-8-12(4-5-14(10)19-3)20(17,18)16-13-6-7-15-9-11(13)2;/h4-5,8,11,13,15-16H,6-7,9H2,1-3H3;1H
InChIKeyKXHQFTWLLXRHPD-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.70
Rot. Bonds4

About 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride

4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120725010) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120725010
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NC2CCNCC2C)cc1C.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-8-12(4-5-14(10)19-3)20(17,18)16-13-6-7-15-9-11(13)2;/h4-5,8,11,13,15-16H,6-7,9H2,1-3H3;1H
InChIKeyKXHQFTWLLXRHPD-UHFFFAOYSA-N
XLogP1.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 120724685
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 43597328
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 129461919
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120725010) is 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NC2CCNCC2C)cc1C.Cl.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is KXHQFTWLLXRHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-10-8-12(4-5-14(10)19-3)20(17,18)16-13-6-7-15-9-11(13)2;/h4-5,8,11,13,15-16H,6-7,9H2,1-3H3;1H.
What are the key properties of 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120725010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).