4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide

C14H18N2O3S — CID 106996774

IUPAC4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H18N2O3S/c1-11-7-12(8-15)3-4-14(11)20(17,18)16(2)9-13-5-6-19-10-13/h3-7,10H,8-9,15H2,1-2H3
InChIKeyMOSYVXLAARJTFL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.87
Rot. Bonds5

About 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide

4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide (PubChem CID 106996774) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
PubChem CID106996774
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)N(C)Cc1ccoc1
InChIInChI=1S/C14H18N2O3S/c1-11-7-12(8-15)3-4-14(11)20(17,18)16(2)9-13-5-6-19-10-13/h3-7,10H,8-9,15H2,1-2H3
InChIKeyMOSYVXLAARJTFL-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide 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

5-amino-4-bromo-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 114625431
4-(aminomethyl)-N,N,2-trimethylbenzenesulfonamide
CID 106996606
2-bromo-N-(furan-3-ylmethyl)-5-(hydroxymethyl)-N,3-dimethylbenzenesulfonamide
CID 114363049
2-(aminomethyl)-N-(furan-3-ylmethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102752351
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61421440
4-[furan-3-ylmethyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62804879
4-(aminomethyl)-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107198936
3-fluoro-4-[furan-3-ylmethyl(methyl)sulfamoyl]benzoic acid
CID 79177687
2-amino-N-(furan-3-ylmethyl)-N-methylethanesulfonamide
CID 61456833
4-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106996772
3-amino-4-fluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61422118

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide (CID 106996774) is 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)N(C)Cc1ccoc1.
What is the InChIKey of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is MOSYVXLAARJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-11-7-12(8-15)3-4-14(11)20(17,18)16(2)9-13-5-6-19-10-13/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide?
4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(furan-3-ylmethyl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 106996774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).