N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride

C16H25Cl2N3O4S — CID 120896352

IUPACN-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H24ClN3O4S.ClH/c1-12(21)20-15-4-3-13(9-14(15)17)25(22,23)19-10-16(11-24-2)5-7-18-8-6-16;/h3-4,9,18-19H,5-8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyHTNNMDAWDXVMDO-UHFFFAOYSA-N
MW426.37 g/mol
LogP2.01
Rot. Bonds7

About N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride

N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride (PubChem CID 120896352) has the molecular formula C16H25Cl2N3O4S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
PubChem CID120896352
Molecular FormulaC16H25Cl2N3O4S
Molecular Weight426.37 g/mol
Exact Mass425.09
IUPAC NameN-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H24ClN3O4S.ClH/c1-12(21)20-15-4-3-13(9-14(15)17)25(22,23)19-10-16(11-24-2)5-7-18-8-6-16;/h3-4,9,18-19H,5-8,10-11H2,1-2H3,(H,20,21);1H
InChIKeyHTNNMDAWDXVMDO-UHFFFAOYSA-N
XLogP2.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide
CID 120896353
N-[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 120896043
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
CID 120896824
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[4-methoxy-3-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride
CID 120896690
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride (CID 120896352) is N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)CCNCC1.Cl.
What is the InChIKey of N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride?
The InChIKey is HTNNMDAWDXVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O4S.ClH/c1-12(21)20-15-4-3-13(9-14(15)17)25(22,23)19-10-16(11-24-2)5-7-18-8-6-16;/h3-4,9,18-19H,5-8,10-11H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride?
N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride has a molecular weight of 426.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120896352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).