3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide

C14H19N3O3S — CID 43526133

IUPAC3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c(N)c1
InChIInChI=1S/C14H19N3O3S/c1-10-4-5-11(20-10)9-17(3)14-7-6-12(8-13(14)15)21(18,19)16-2/h4-8,16H,9,15H2,1-3H3
InChIKeyGRCROSXPPPAVTK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide

3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide (PubChem CID 43526133) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
PubChem CID43526133
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c(N)c1
InChIInChI=1S/C14H19N3O3S/c1-10-4-5-11(20-10)9-17(3)14-7-6-12(8-13(14)15)21(18,19)16-2/h4-8,16H,9,15H2,1-3H3
InChIKeyGRCROSXPPPAVTK-UHFFFAOYSA-N
XLogP1.71
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
4-amino-N-methyl-3-[methyl(3-methylbutyl)amino]benzenesulfonamide
CID 82899686
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
4-amino-3-[2-hydroxyethyl(methyl)amino]-N-methylbenzenesulfonamide
CID 82898644
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 51124455
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
4-amino-3-(dipropylamino)-N-methylbenzenesulfonamide
CID 82898904
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzenesulfonamide
CID 43449230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide (CID 43526133) is 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)Cc2ccc(C)o2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
The InChIKey is GRCROSXPPPAVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-4-5-11(20-10)9-17(3)14-7-6-12(8-13(14)15)21(18,19)16-2/h4-8,16H,9,15H2,1-3H3.
What are the key properties of 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide?
3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide is sourced from PubChem (CID 43526133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).