2-amino-3-(2-methylsulfonylethylamino)benzamide

C10H15N3O3S — CID 115544080

IUPAC2-amino-3-(2-methylsulfonylethylamino)benzamide
SMILESCS(=O)(=O)CCNc1cccc(C(N)=O)c1N
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)6-5-13-8-4-2-3-7(9(8)11)10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14)
InChIKeyFHWHUJYBAQXFNJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.18
Rot. Bonds5

About 2-amino-3-(2-methylsulfonylethylamino)benzamide

2-amino-3-(2-methylsulfonylethylamino)benzamide (PubChem CID 115544080) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-amino-3-(2-methylsulfonylethylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-methylsulfonylethylamino)benzamide
PubChem CID115544080
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-amino-3-(2-methylsulfonylethylamino)benzamide
SMILESCS(=O)(=O)CCNc1cccc(C(N)=O)c1N
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)6-5-13-8-4-2-3-7(9(8)11)10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14)
InChIKeyFHWHUJYBAQXFNJ-UHFFFAOYSA-N
XLogP-0.18
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.18
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-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-(2-methylsulfonylethylamino)benzoic acid
CID 62230522
methyl 2-amino-3-(2-sulfamoylethylamino)benzoate
CID 115544871
ethyl 2-amino-3-(3-methylsulfonylpropylamino)benzoate
CID 115545631
2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
CID 67418978
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852
2-amino-3-[2-(2,2-difluoroethoxy)ethylamino]benzamide
CID 114129004
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
2-amino-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzamide
CID 114139616
2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
CID 115545611

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylsulfonylethylamino)benzamide?
The IUPAC name of 2-amino-3-(2-methylsulfonylethylamino)benzamide (CID 115544080) is 2-amino-3-(2-methylsulfonylethylamino)benzamide.
What is the SMILES notation for 2-amino-3-(2-methylsulfonylethylamino)benzamide?
The canonical SMILES for 2-amino-3-(2-methylsulfonylethylamino)benzamide is CS(=O)(=O)CCNc1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2-methylsulfonylethylamino)benzamide?
The InChIKey is FHWHUJYBAQXFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-17(15,16)6-5-13-8-4-2-3-7(9(8)11)10(12)14/h2-4,13H,5-6,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-3-(2-methylsulfonylethylamino)benzamide?
2-amino-3-(2-methylsulfonylethylamino)benzamide has a molecular weight of 257.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylsulfonylethylamino)benzamide is sourced from PubChem (CID 115544080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).