5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide

C14H19N3O3S — CID 103286871

IUPAC5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)c1ccc(C)o1
InChIInChI=1S/C14H19N3O3S/c1-9-4-7-13(20-9)10(2)17-12-6-5-11(15)8-14(12)21(18,19)16-3/h4-8,10,16-17H,15H2,1-3H3
InChIKeyZFXSXQJCLFDXID-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.25
Rot. Bonds5

About 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide

5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide (PubChem CID 103286871) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
PubChem CID103286871
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC(C)c1ccc(C)o1
InChIInChI=1S/C14H19N3O3S/c1-9-4-7-13(20-9)10(2)17-12-6-5-11(15)8-14(12)21(18,19)16-3/h4-8,10,16-17H,15H2,1-3H3
InChIKeyZFXSXQJCLFDXID-UHFFFAOYSA-N
XLogP2.25
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.25
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

2-chloro-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,4-diamine
CID 61476589
5-amino-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126243
2-[4-amino-2-(methylsulfamoyl)anilino]-N-propylpropanamide
CID 103286872
5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 103286857
4-amino-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126824
5-amino-2-[1-(furan-2-yl)propan-2-ylamino]-N-methylbenzenesulfonamide
CID 103286859
5-amino-2-[(3-hydroxy-2-methylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 103287457
4-amino-2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61125291
5-amino-2-(2-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 103286731
4-amino-2-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 61126627
5-amino-N-methyl-2-(2-methylanilino)benzenesulfonamide
CID 103286687
5-amino-N-methyl-2-(2,4,4-trimethylpentan-2-ylamino)benzenesulfonamide
CID 103286934

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide (CID 103286871) is 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC(C)c1ccc(C)o1.
What is the InChIKey of 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is ZFXSXQJCLFDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-4-7-13(20-9)10(2)17-12-6-5-11(15)8-14(12)21(18,19)16-3/h4-8,10,16-17H,15H2,1-3H3.
What are the key properties of 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide?
5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 103286871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).