3-amino-4-(diethylsulfamoyl)benzamide

C11H17N3O3S — CID 81470581

IUPAC3-amino-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-6-5-8(11(13)15)7-9(10)12/h5-7H,3-4,12H2,1-2H3,(H2,13,15)
InChIKeyATFVVBZLPBDQHM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.40
Rot. Bonds5

About 3-amino-4-(diethylsulfamoyl)benzamide

3-amino-4-(diethylsulfamoyl)benzamide (PubChem CID 81470581) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-amino-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(diethylsulfamoyl)benzamide
PubChem CID81470581
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-amino-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(N)=O)cc1N
InChIInChI=1S/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-6-5-8(11(13)15)7-9(10)12/h5-7H,3-4,12H2,1-2H3,(H2,13,15)
InChIKeyATFVVBZLPBDQHM-UHFFFAOYSA-N
XLogP0.40
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-amino-4-carbamoylphenyl)sulfonyl-ethylamino]acetate
CID 81466179
3-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 107478040
3-amino-4-[benzyl(2-hydroxyethyl)sulfamoyl]benzamide
CID 113265345
methyl 3-amino-4-[ethyl(2-methoxyethyl)sulfamoyl]benzoate
CID 61444348
2-[(2-amino-4-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103100989
methyl 3-amino-4-[ethyl(2-methylprop-2-enyl)sulfamoyl]benzoate
CID 61113088
3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
CID 81471424
methyl 3-[(2-amino-4-carbamoylphenyl)sulfonyl-methylamino]propanoate
CID 81466282
3-amino-4-[ethyl(propan-2-yl)sulfamoyl]benzoic acid
CID 81470891
butyl 3-amino-4-(dibutylsulfamoyl)benzoate
CID 154372448
3-amino-4-[methyl(oxan-4-yl)sulfamoyl]benzamide
CID 81466272
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(diethylsulfamoyl)benzamide?
The IUPAC name of 3-amino-4-(diethylsulfamoyl)benzamide (CID 81470581) is 3-amino-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 3-amino-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for 3-amino-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(diethylsulfamoyl)benzamide?
The InChIKey is ATFVVBZLPBDQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-14(4-2)18(16,17)10-6-5-8(11(13)15)7-9(10)12/h5-7H,3-4,12H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-4-(diethylsulfamoyl)benzamide?
3-amino-4-(diethylsulfamoyl)benzamide has a molecular weight of 271.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 81470581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).