4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide

C10H15N3O3S — CID 106332797

IUPAC4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15N3O3S/c1-12-17(15,16)7-6-13-10(14)8-2-4-9(11)5-3-8/h2-5,12H,6-7,11H2,1H3,(H,13,14)
InChIKeyLNGYJIGZMFNQKP-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.45
Rot. Bonds5

About 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide

4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide (PubChem CID 106332797) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
PubChem CID106332797
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C10H15N3O3S/c1-12-17(15,16)7-6-13-10(14)8-2-4-9(11)5-3-8/h2-5,12H,6-7,11H2,1H3,(H,13,14)
InChIKeyLNGYJIGZMFNQKP-UHFFFAOYSA-N
XLogP-0.45
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 102685105
(E)-3-(4-aminophenyl)-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
CID 106336595
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
3,5-difluoro-4-hydrazinyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106340860
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
2-amino-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332725
6-amino-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342484
4-amino-N-(2-hydroxyethyl)benzamide;ethane;molecular hydrogen
CID 156799285
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide (CID 106332797) is 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide is CNS(=O)(=O)CCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide?
The InChIKey is LNGYJIGZMFNQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-12-17(15,16)7-6-13-10(14)8-2-4-9(11)5-3-8/h2-5,12H,6-7,11H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide?
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide has a molecular weight of 257.31 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 106332797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).