4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

C14H18N2O3S — CID 61107370

IUPAC4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H18N2O3S/c1-3-16(10-13-5-4-8-19-13)20(17,18)14-7-6-12(15)9-11(14)2/h4-9H,3,10,15H2,1-2H3
InChIKeyRAEXJLLVCRCUIN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.38
Rot. Bonds5

About 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (PubChem CID 61107370) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
PubChem CID61107370
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCCN(Cc1ccco1)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H18N2O3S/c1-3-16(10-13-5-4-8-19-13)20(17,18)14-7-6-12(15)9-11(14)2/h4-9H,3,10,15H2,1-2H3
InChIKeyRAEXJLLVCRCUIN-UHFFFAOYSA-N
XLogP2.38
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide 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

4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
2-amino-5-bromo-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61106070
3-amino-N-ethyl-N-(furan-2-ylmethyl)-2,6-dimethylbenzenesulfonamide
CID 61105127
5-amino-4-bromo-N-ethyl-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 116529898
4-amino-2-bromo-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 43526690
4-(bromomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 65480815
3-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61423669
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
2-amino-N-(furan-2-ylmethyl)-N,4-dimethylbenzenesulfonamide
CID 43526688

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (CID 61107370) is 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is CCN(Cc1ccco1)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is RAEXJLLVCRCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-16(10-13-5-4-8-19-13)20(17,18)14-7-6-12(15)9-11(14)2/h4-9H,3,10,15H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 61107370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).