2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide

C12H15N3O3S — CID 80646286

IUPAC2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccco2)cc1N
InChIInChI=1S/C12H15N3O3S/c1-14-19(16,17)12-5-4-9(7-11(12)13)15-8-10-3-2-6-18-10/h2-7,14-15H,8,13H2,1H3
InChIKeyGIDYGXRMDJYGBQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide

2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide (PubChem CID 80646286) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
PubChem CID80646286
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccco2)cc1N
InChIInChI=1S/C12H15N3O3S/c1-14-19(16,17)12-5-4-9(7-11(12)13)15-8-10-3-2-6-18-10/h2-7,14-15H,8,13H2,1H3
InChIKeyGIDYGXRMDJYGBQ-UHFFFAOYSA-N
XLogP1.38
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-amino-N-methyl-4-(2H-tetrazol-5-ylmethylamino)benzenesulfonamide
CID 80646512
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
2-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 80646018
2-amino-N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzenesulfonamide
CID 80645661
2-amino-N-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393801

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide (CID 80646286) is 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccco2)cc1N.
What is the InChIKey of 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
The InChIKey is GIDYGXRMDJYGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-14-19(16,17)12-5-4-9(7-11(12)13)15-8-10-3-2-6-18-10/h2-7,14-15H,8,13H2,1H3.
What are the key properties of 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide?
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 80646286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).