2-amino-5-(2-methylsulfonylethylamino)benzamide

C10H15N3O3S — CID 61312641

IUPAC2-amino-5-(2-methylsulfonylethylamino)benzamide
SMILESCS(=O)(=O)CCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)5-4-13-7-2-3-9(11)8(6-7)10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14)
InChIKeyXDANHLXCVHCKTN-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.18
Rot. Bonds5

About 2-amino-5-(2-methylsulfonylethylamino)benzamide

2-amino-5-(2-methylsulfonylethylamino)benzamide (PubChem CID 61312641) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-amino-5-(2-methylsulfonylethylamino)benzamide.

Molecular Properties

Compound Name2-amino-5-(2-methylsulfonylethylamino)benzamide
PubChem CID61312641
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-amino-5-(2-methylsulfonylethylamino)benzamide
SMILESCS(=O)(=O)CCNc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C10H15N3O3S/c1-17(15,16)5-4-13-7-2-3-9(11)8(6-7)10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14)
InChIKeyXDANHLXCVHCKTN-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

5-(2-acetamidoethylamino)-2-aminobenzamide
CID 61306771
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
2-amino-5-[2-(2-amino-2-oxoethoxy)ethylamino]benzamide
CID 106240860
2-amino-5-(3-ethoxypropylamino)benzamide
CID 61306219
2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
CID 114098605
2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
CID 67418978
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
CID 115357122
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
2-amino-5-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzamide
CID 114539587
2-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzamide
CID 62848528
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methylsulfonylethylamino)benzamide?
The IUPAC name of 2-amino-5-(2-methylsulfonylethylamino)benzamide (CID 61312641) is 2-amino-5-(2-methylsulfonylethylamino)benzamide.
What is the SMILES notation for 2-amino-5-(2-methylsulfonylethylamino)benzamide?
The canonical SMILES for 2-amino-5-(2-methylsulfonylethylamino)benzamide is CS(=O)(=O)CCNc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-(2-methylsulfonylethylamino)benzamide?
The InChIKey is XDANHLXCVHCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-17(15,16)5-4-13-7-2-3-9(11)8(6-7)10(12)14/h2-3,6,13H,4-5,11H2,1H3,(H2,12,14).
What are the key properties of 2-amino-5-(2-methylsulfonylethylamino)benzamide?
2-amino-5-(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-5-(2-methylsulfonylethylamino)benzamide is sourced from PubChem (CID 61312641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).