3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide

C13H15N3O4S — CID 81466871

IUPAC3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)o1
InChIInChI=1S/C13H15N3O4S/c1-8-2-4-10(20-8)7-16-21(18,19)12-5-3-9(13(15)17)6-11(12)14/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyQOKXZVREWLQKMH-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide

3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide (PubChem CID 81466871) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
PubChem CID81466871
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)o1
InChIInChI=1S/C13H15N3O4S/c1-8-2-4-10(20-8)7-16-21(18,19)12-5-3-9(13(15)17)6-11(12)14/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyQOKXZVREWLQKMH-UHFFFAOYSA-N
XLogP0.75
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.75
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-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081929
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
3-methyl-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 106998104
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
CID 81457835
3-amino-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzamide
CID 81466386
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
5-amino-3-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62525023

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide (CID 81466871) is 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide is Cc1ccc(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)o1.
What is the InChIKey of 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide?
The InChIKey is QOKXZVREWLQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8-2-4-10(20-8)7-16-21(18,19)12-5-3-9(13(15)17)6-11(12)14/h2-6,16H,7,14H2,1H3,(H2,15,17).
What are the key properties of 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide?
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide has a molecular weight of 309.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide is sourced from PubChem (CID 81466871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).