3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide

C12H14N2O3S — CID 43688507

IUPAC3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccco2)c1
InChIInChI=1S/C12H14N2O3S/c1-13-18(15,16)12-6-2-4-10(8-12)14-9-11-5-3-7-17-11/h2-8,13-14H,9H2,1H3
InChIKeyDLOCICHBFYHHMF-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.80
Rot. Bonds5

About 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide

3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide (PubChem CID 43688507) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
PubChem CID43688507
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccco2)c1
InChIInChI=1S/C12H14N2O3S/c1-13-18(15,16)12-6-2-4-10(8-12)14-9-11-5-3-7-17-11/h2-8,13-14H,9H2,1H3
InChIKeyDLOCICHBFYHHMF-UHFFFAOYSA-N
XLogP1.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-ylmethylamino)-N-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

2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106885167
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
3-[(5-chlorothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 43688458
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(methylsulfamoyl)phenyl]methyl]guanidine
CID 110933933
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
CID 115744245
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide (CID 43688507) is 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2ccco2)c1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
The InChIKey is DLOCICHBFYHHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-13-18(15,16)12-6-2-4-10(8-12)14-9-11-5-3-7-17-11/h2-8,13-14H,9H2,1H3.
What are the key properties of 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).