N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide

C15H20N2O3S — CID 61470755

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)Cc2ccco2)cc1
InChIInChI=1S/C15H20N2O3S/c1-12(10-14-4-3-9-20-14)17-21(18,19)15-7-5-13(6-8-15)11-16-2/h3-9,12,16-17H,10-11H2,1-2H3
InChIKeyXUGMBCOXHFOFSO-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.91
Rot. Bonds7

About N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide

N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 61470755) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
PubChem CID61470755
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)Cc2ccco2)cc1
InChIInChI=1S/C15H20N2O3S/c1-12(10-14-4-3-9-20-14)17-21(18,19)15-7-5-13(6-8-15)11-16-2/h3-9,12,16-17H,10-11H2,1-2H3
InChIKeyXUGMBCOXHFOFSO-UHFFFAOYSA-N
XLogP1.91
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 102752631
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
CID 61051425
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
1-(4-fluorophenyl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]methanesulfonamide
CID 34161180

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide (CID 61470755) is N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC(C)Cc2ccco2)cc1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is XUGMBCOXHFOFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-12(10-14-4-3-9-20-14)17-21(18,19)15-7-5-13(6-8-15)11-16-2/h3-9,12,16-17H,10-11H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide?
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 61470755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).