4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C14H23ClN2O3S — CID 167945506

IUPAC4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-8-13(19-3)9-11(2)14(10)20(17,18)16-12-4-6-15-7-5-12;/h8-9,12,15-16H,4-7H2,1-3H3;1H
InChIKeyNCCGUWKNJHZFSI-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.76
Rot. Bonds4

About 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 167945506) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID167945506
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NC2CCNCC2)c(C)c1.Cl
InChIInChI=1S/C14H22N2O3S.ClH/c1-10-8-13(19-3)9-11(2)14(10)20(17,18)16-12-4-6-15-7-5-12;/h8-9,12,15-16H,4-7H2,1-3H3;1H
InChIKeyNCCGUWKNJHZFSI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 107326148
2,6-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960405
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
4-methoxy-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974453
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 125048908
N-cyclopropyl-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 110759510
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
3,5-dimethyl-N-piperidin-4-yl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 72716268
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
4-bromo-3-methyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960505

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 167945506) is 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is COc1cc(C)c(S(=O)(=O)NC2CCNCC2)c(C)c1.Cl.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is NCCGUWKNJHZFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S.ClH/c1-10-8-13(19-3)9-11(2)14(10)20(17,18)16-12-4-6-15-7-5-12;/h8-9,12,15-16H,4-7H2,1-3H3;1H.
What are the key properties of 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 167945506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).