N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

C18H22N2O4S — CID 109064445

IUPACN-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1
InChIInChI=1S/C18H22N2O4S/c1-14-5-3-9-20(13-14)18(21)15-6-2-8-17(11-15)25(22,23)19-12-16-7-4-10-24-16/h2,4,6-8,10-11,14,19H,3,5,9,12-13H2,1H3
InChIKeyILRCDOOLUCITPL-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.63
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide

N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 109064445) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID109064445
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1
InChIInChI=1S/C18H22N2O4S/c1-14-5-3-9-20(13-14)18(21)15-6-2-8-17(11-15)25(22,23)19-12-16-7-4-10-24-16/h2,4,6-8,10-11,14,19H,3,5,9,12-13H2,1H3
InChIKeyILRCDOOLUCITPL-UHFFFAOYSA-N
XLogP2.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 46798331
N-(furan-2-ylmethyl)-3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25489711
N-(3-methylbutyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109065260
N-(furan-2-ylmethyl)-3-(1,2-oxazolidine-2-carbonyl)benzenesulfonamide
CID 99803055
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 99951403
3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 55654720
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 109064448
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
N-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 109064445) is N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ILRCDOOLUCITPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-5-3-9-20(13-14)18(21)15-6-2-8-17(11-15)25(22,23)19-12-16-7-4-10-24-16/h2,4,6-8,10-11,14,19H,3,5,9,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109064445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).