2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

C17H21BrN2O3S — CID 16888184

IUPAC2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccccc1Br
InChIInChI=1S/C17H21BrN2O3S/c18-16-5-1-2-6-17(16)24(21,22)19-12-14-7-9-20(10-8-14)13-15-4-3-11-23-15/h1-6,11,14,19H,7-10,12-13H2
InChIKeySYLQEDDUBYWQDI-UHFFFAOYSA-N
MW413.34 g/mol
LogP3.23
Rot. Bonds6

About 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide

2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 16888184) has the molecular formula C17H21BrN2O3S and a molecular weight of 413.34 g/mol. Its IUPAC name is 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID16888184
Molecular FormulaC17H21BrN2O3S
Molecular Weight413.34 g/mol
Exact Mass412.05
IUPAC Name2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccccc1Br
InChIInChI=1S/C17H21BrN2O3S/c18-16-5-1-2-6-17(16)24(21,22)19-12-14-7-9-20(10-8-14)13-15-4-3-11-23-15/h1-6,11,14,19H,7-10,12-13H2
InChIKeySYLQEDDUBYWQDI-UHFFFAOYSA-N
XLogP3.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-phenoxybenzenesulfonamide
CID 130214962
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16888199
N-[4-[[1-(furan-2-ylmethyl)piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 16888232
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 16888241
1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888258
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256
2-bromo-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108343
2-bromo-N-[(3-chlorocyclopentyl)methyl]benzenesulfonamide
CID 106135299
2-bromo-N-[(3-bromocyclohexyl)methyl]benzenesulfonamide
CID 114148306
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 16888184) is 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(Cc2ccco2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is SYLQEDDUBYWQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3S/c18-16-5-1-2-6-17(16)24(21,22)19-12-14-7-9-20(10-8-14)13-15-4-3-11-23-15/h1-6,11,14,19H,7-10,12-13H2.
What are the key properties of 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide?
2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 413.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 16888184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).