5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride

C15H24Cl2N2O3S — CID 120896564

IUPAC5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cc(Cl)ccc2C)CCNCC1.Cl
InChIInChI=1S/C15H23ClN2O3S.ClH/c1-12-3-4-13(16)9-14(12)22(19,20)18-10-15(11-21-2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H
InChIKeyVVJYVFYHECJCHS-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.36
Rot. Bonds6

About 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride

5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 120896564) has the molecular formula C15H24Cl2N2O3S and a molecular weight of 383.34 g/mol. Its IUPAC name is 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID120896564
Molecular FormulaC15H24Cl2N2O3S
Molecular Weight383.34 g/mol
Exact Mass382.09
IUPAC Name5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2cc(Cl)ccc2C)CCNCC1.Cl
InChIInChI=1S/C15H23ClN2O3S.ClH/c1-12-3-4-13(16)9-14(12)22(19,20)18-10-15(11-21-2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H
InChIKeyVVJYVFYHECJCHS-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride with MolForge

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Related Compounds

2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
ethyl 3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-4-methylbenzoate
CID 120896425
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide
CID 120896693
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 120896162
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride (CID 120896564) is 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2cc(Cl)ccc2C)CCNCC1.Cl.
What is the InChIKey of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is VVJYVFYHECJCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S.ClH/c1-12-3-4-13(16)9-14(12)22(19,20)18-10-15(11-21-2)5-7-17-8-6-15;/h3-4,9,17-18H,5-8,10-11H2,1-2H3;1H.
What are the key properties of 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride?
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 383.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).