4-amino-2-(dimethylsulfamoyl)benzamide

C9H13N3O3S — CID 162727252

IUPAC4-amino-2-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1C(N)=O
InChIInChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-6(10)3-4-7(8)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13)
InChIKeyGTWCAYSFMZZKTP-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.38
Rot. Bonds3

About 4-amino-2-(dimethylsulfamoyl)benzamide

4-amino-2-(dimethylsulfamoyl)benzamide (PubChem CID 162727252) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 4-amino-2-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-amino-2-(dimethylsulfamoyl)benzamide
PubChem CID162727252
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name4-amino-2-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(N)ccc1C(N)=O
InChIInChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-6(10)3-4-7(8)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13)
InChIKeyGTWCAYSFMZZKTP-UHFFFAOYSA-N
XLogP-0.38
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylsulfamoyl)benzamide?
The IUPAC name of 4-amino-2-(dimethylsulfamoyl)benzamide (CID 162727252) is 4-amino-2-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 4-amino-2-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 4-amino-2-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-(dimethylsulfamoyl)benzamide?
The InChIKey is GTWCAYSFMZZKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-6(10)3-4-7(8)9(11)13/h3-5H,10H2,1-2H3,(H2,11,13).
What are the key properties of 4-amino-2-(dimethylsulfamoyl)benzamide?
4-amino-2-(dimethylsulfamoyl)benzamide has a molecular weight of 243.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 162727252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).