N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride

C20H27ClN2O3S — CID 120896472

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CCNCC1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-25-16-20(11-13-21-14-12-20)15-22-26(23,24)19-9-7-18(8-10-19)17-5-3-2-4-6-17;/h2-10,21-22H,11-16H2,1H3;1H
InChIKeySIIXREPNBNNGNP-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.07
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride (PubChem CID 120896472) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
PubChem CID120896472
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CCNCC1.Cl
InChIInChI=1S/C20H26N2O3S.ClH/c1-25-16-20(11-13-21-14-12-20)15-22-26(23,24)19-9-7-18(8-10-19)17-5-3-2-4-6-17;/h2-10,21-22H,11-16H2,1H3;1H
InChIKeySIIXREPNBNNGNP-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenyl]-N-methylacetamide;hydrochloride
CID 120896852
4-(2-ethoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896478
methyl 2-[4-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]phenoxy]acetate;hydrochloride
CID 120896824
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-sulfonamide;hydrochloride
CID 120896584
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896329

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride (CID 120896472) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(-c3ccccc3)cc2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride?
The InChIKey is SIIXREPNBNNGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S.ClH/c1-25-16-20(11-13-21-14-12-20)15-22-26(23,24)19-9-7-18(8-10-19)17-5-3-2-4-6-17;/h2-10,21-22H,11-16H2,1H3;1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride has a molecular weight of 410.97 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120896472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).