4-[acetyl(dimethylamino)amino]benzenesulfonamide

C10H15N3O3S — CID 174362410

IUPAC4-[acetyl(dimethylamino)amino]benzenesulfonamide
SMILESCC(=O)N(c1ccc(S(N)(=O)=O)cc1)N(C)C
InChIInChI=1S/C10H15N3O3S/c1-8(14)13(12(2)3)9-4-6-10(7-5-9)17(11,15)16/h4-7H,1-3H3,(H2,11,15,16)
InChIKeyZKDIUCUFBVDSKS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.16
Rot. Bonds3

About 4-[acetyl(dimethylamino)amino]benzenesulfonamide

4-[acetyl(dimethylamino)amino]benzenesulfonamide (PubChem CID 174362410) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[acetyl(dimethylamino)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[acetyl(dimethylamino)amino]benzenesulfonamide
PubChem CID174362410
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-[acetyl(dimethylamino)amino]benzenesulfonamide
SMILESCC(=O)N(c1ccc(S(N)(=O)=O)cc1)N(C)C
InChIInChI=1S/C10H15N3O3S/c1-8(14)13(12(2)3)9-4-6-10(7-5-9)17(11,15)16/h4-7H,1-3H3,(H2,11,15,16)
InChIKeyZKDIUCUFBVDSKS-UHFFFAOYSA-N
XLogP0.16
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
N-methyl-N-(4-sulfamoylphenyl)but-2-ynamide
CID 107992625
acetamide;4-aminobenzenesulfonamide
CID 175093651
N,4-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 61129425
N-methyl-N-(4-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130946
4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 16784503
N-methyl-N-(4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65215734
N-acetyl-N-[4-[4-(diacetylamino)phenyl]sulfonylphenyl]acetamide
CID 5008521
3-(4-sulfamoylphenyl)but-2-enoic acid
CID 67877813
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
N,6-dimethyl-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 61129781
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(dimethylamino)amino]benzenesulfonamide?
The IUPAC name of 4-[acetyl(dimethylamino)amino]benzenesulfonamide (CID 174362410) is 4-[acetyl(dimethylamino)amino]benzenesulfonamide.
What is the SMILES notation for 4-[acetyl(dimethylamino)amino]benzenesulfonamide?
The canonical SMILES for 4-[acetyl(dimethylamino)amino]benzenesulfonamide is CC(=O)N(c1ccc(S(N)(=O)=O)cc1)N(C)C.
What is the InChIKey of 4-[acetyl(dimethylamino)amino]benzenesulfonamide?
The InChIKey is ZKDIUCUFBVDSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-8(14)13(12(2)3)9-4-6-10(7-5-9)17(11,15)16/h4-7H,1-3H3,(H2,11,15,16).
What are the key properties of 4-[acetyl(dimethylamino)amino]benzenesulfonamide?
4-[acetyl(dimethylamino)amino]benzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(dimethylamino)amino]benzenesulfonamide is sourced from PubChem (CID 174362410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).