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

C13H19N3O4S — CID 81457835

IUPAC3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
SMILESCC1(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)CCCO1
InChIInChI=1S/C13H19N3O4S/c1-13(5-2-6-20-13)8-16-21(18,19)11-4-3-9(12(15)17)7-10(11)14/h3-4,7,16H,2,5-6,8,14H2,1H3,(H2,15,17)
InChIKeyVCMIWIONNXJNPU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.22
Rot. Bonds5

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

3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide (PubChem CID 81457835) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
PubChem CID81457835
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide
SMILESCC1(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)CCCO1
InChIInChI=1S/C13H19N3O4S/c1-13(5-2-6-20-13)8-16-21(18,19)11-4-3-9(12(15)17)7-10(11)14/h3-4,7,16H,2,5-6,8,14H2,1H3,(H2,15,17)
InChIKeyVCMIWIONNXJNPU-UHFFFAOYSA-N
XLogP0.22
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.22
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-amino-4-[(1-methylcyclohexyl)sulfamoyl]benzamide
CID 81466289
3-amino-4-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 113485239
3-amino-4-(3-methylbut-2-enylsulfamoyl)benzamide
CID 106180456
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
3-amino-4-[[(2R)-2-hydroxypropyl]sulfamoyl]benzamide
CID 107213320
3-amino-4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoic acid
CID 81457711
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfamoyl]benzamide
CID 81465783
2-(aminomethyl)-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-sulfonamide
CID 106594718
2-chloro-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzoic acid
CID 107090178
3-(aminomethyl)-5-chloro-2-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
CID 82879875
3-amino-4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzamide
CID 81471363
3-amino-4-(cyclobutylsulfamoyl)benzamide
CID 81471203

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide?
The IUPAC name of 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide (CID 81457835) is 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide?
The canonical SMILES for 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide is CC1(CNS(=O)(=O)c2ccc(C(N)=O)cc2N)CCCO1.
What is the InChIKey of 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide?
The InChIKey is VCMIWIONNXJNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-13(5-2-6-20-13)8-16-21(18,19)11-4-3-9(12(15)17)7-10(11)14/h3-4,7,16H,2,5-6,8,14H2,1H3,(H2,15,17).
What are the key properties of 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide?
3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-methyloxolan-2-yl)methylsulfamoyl]benzamide is sourced from PubChem (CID 81457835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).