5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride

C12H20BrClN2O4S — CID 120896062

IUPAC5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(Br)o2)CCNCC1.Cl
InChIInChI=1S/C12H19BrN2O4S.ClH/c1-18-9-12(4-6-14-7-5-12)8-15-20(16,17)11-3-2-10(13)19-11;/h2-3,14-15H,4-9H2,1H3;1H
InChIKeyPMOVPTIEHOCFHZ-UHFFFAOYSA-N
MW403.73 g/mol
LogP1.76
Rot. Bonds6

About 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride

5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride (PubChem CID 120896062) has the molecular formula C12H20BrClN2O4S and a molecular weight of 403.73 g/mol. Its IUPAC name is 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
PubChem CID120896062
Molecular FormulaC12H20BrClN2O4S
Molecular Weight403.73 g/mol
Exact Mass402.00
IUPAC Name5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride
SMILESCOCC1(CNS(=O)(=O)c2ccc(Br)o2)CCNCC1.Cl
InChIInChI=1S/C12H19BrN2O4S.ClH/c1-18-9-12(4-6-14-7-5-12)8-15-20(16,17)11-3-2-10(13)19-11;/h2-3,14-15H,4-9H2,1H3;1H
InChIKeyPMOVPTIEHOCFHZ-UHFFFAOYSA-N
XLogP1.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate;hydrochloride
CID 120896340
ethyl 5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]furan-2-carboxylate
CID 120896379
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
5-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120896564
2-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzenesulfonamide
CID 120896633
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896450
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
2-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120896104
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120895991
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120896176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride (CID 120896062) is 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride is COCC1(CNS(=O)(=O)c2ccc(Br)o2)CCNCC1.Cl.
What is the InChIKey of 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride?
The InChIKey is PMOVPTIEHOCFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O4S.ClH/c1-18-9-12(4-6-14-7-5-12)8-15-20(16,17)11-3-2-10(13)19-11;/h2-3,14-15H,4-9H2,1H3;1H.
What are the key properties of 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride?
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride has a molecular weight of 403.73 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).