N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide

C15H17N3O4S — CID 50876396

IUPACN-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC1=O
InChIInChI=1S/C15H17N3O4S/c1-11-10-18(17-15(11)19)12-4-6-14(7-5-12)23(20,21)16-9-13-3-2-8-22-13/h2-8,11,16H,9-10H2,1H3,(H,17,19)
InChIKeyYBKJMXIASMYETC-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.25
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide

N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide (PubChem CID 50876396) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide
PubChem CID50876396
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide
SMILESCC1CN(c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC1=O
InChIInChI=1S/C15H17N3O4S/c1-11-10-18(17-15(11)19)12-4-6-14(7-5-12)23(20,21)16-9-13-3-2-8-22-13/h2-8,11,16H,9-10H2,1H3,(H,17,19)
InChIKeyYBKJMXIASMYETC-UHFFFAOYSA-N
XLogP1.25
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2531360
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574382
2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
CID 4067948
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 98392756
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 9203705
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-(furan-2-ylmethyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110408771
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide (CID 50876396) is N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide is CC1CN(c2ccc(S(=O)(=O)NCc3ccco3)cc2)NC1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide?
The InChIKey is YBKJMXIASMYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-11-10-18(17-15(11)19)12-4-6-14(7-5-12)23(20,21)16-9-13-3-2-8-22-13/h2-8,11,16H,9-10H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide?
N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(4-methyl-3-oxopyrazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 50876396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).