N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid

C16H22N2O5S — CID 71786114

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
SMILESCc1cccc(S(=O)(=O)NCC(c2ccco2)N(C)C)c1.O=CO
InChIInChI=1S/C15H20N2O3S.CH2O2/c1-12-6-4-7-13(10-12)21(18,19)16-11-14(17(2)3)15-8-5-9-20-15;2-1-3/h4-10,14,16H,11H2,1-3H3;1H,(H,2,3)
InChIKeyXARJIEBPJFUVAE-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid (PubChem CID 71786114) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
PubChem CID71786114
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
SMILESCc1cccc(S(=O)(=O)NCC(c2ccco2)N(C)C)c1.O=CO
InChIInChI=1S/C15H20N2O3S.CH2O2/c1-12-6-4-7-13(10-12)21(18,19)16-11-14(17(2)3)15-8-5-9-20-15;2-1-3/h4-10,14,16H,11H2,1-3H3;1H,(H,2,3)
InChIKeyXARJIEBPJFUVAE-UHFFFAOYSA-N
XLogP1.87
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
CID 45003113
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
CID 41454933
3-(benzylsulfamoyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 24981861
N-(2-chloropropyl)-3-methylbenzenesulfonamide
CID 65033837
N-(2-hydroxybutyl)-3-methylbenzenesulfonamide
CID 5018849
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 51710552
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60700187
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-methylbenzenesulfonamide
CID 90581543
3-[(3-chlorophenyl)sulfamoyl]-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 25496186

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid (CID 71786114) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid is Cc1cccc(S(=O)(=O)NCC(c2ccco2)N(C)C)c1.O=CO.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid?
The InChIKey is XARJIEBPJFUVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S.CH2O2/c1-12-6-4-7-13(10-12)21(18,19)16-11-14(17(2)3)15-8-5-9-20-15;2-1-3/h4-10,14,16H,11H2,1-3H3;1H,(H,2,3).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid has a molecular weight of 354.43 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid is sourced from PubChem (CID 71786114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).