N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

C15H20N2O3S — CID 107522507

IUPACN-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(CNC)oc1C
InChIInChI=1S/C15H20N2O3S/c1-4-12-7-5-6-8-14(12)17-21(18,19)15-9-13(10-16-3)20-11(15)2/h5-9,16-17H,4,10H2,1-3H3
InChIKeyQTOOEGFDGPNGOM-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.67
Rot. Bonds6

About N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide

N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 107522507) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID107522507
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1cc(CNC)oc1C
InChIInChI=1S/C15H20N2O3S/c1-4-12-7-5-6-8-14(12)17-21(18,19)15-9-13(10-16-3)20-11(15)2/h5-9,16-17H,4,10H2,1-3H3
InChIKeyQTOOEGFDGPNGOM-UHFFFAOYSA-N
XLogP2.67
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2-ethylphenyl)-2-methylfuran-3-sulfonamide
CID 107536071
N-(2,5-dichlorophenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106037010
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-disulfonamide
CID 25048038
N-(4-methoxyphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 106031218
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
5-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethylphenyl)-2-methylthiophene-3-sulfonamide
CID 50835162
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
N-(2-ethylphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758931
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
2-amino-4-chloro-N-(2-ethylphenyl)benzenesulfonamide
CID 28524364
5-(ethylaminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065482

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide (CID 107522507) is N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1cc(CNC)oc1C.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is QTOOEGFDGPNGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-12-7-5-6-8-14(12)17-21(18,19)15-9-13(10-16-3)20-11(15)2/h5-9,16-17H,4,10H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide?
N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 107522507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).