2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide

C9H12N4O3S — CID 154194116

IUPAC2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
SMILESNC(N)=NC(=O)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N4O3S/c10-6-1-3-7(4-2-6)17(15,16)5-8(14)13-9(11)12/h1-4H,5,10H2,(H4,11,12,13,14)
InChIKeyAMLMSUSAJYIXNG-UHFFFAOYSA-N
MW256.29 g/mol
LogP-1.16
Rot. Bonds3

About 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide

2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide (PubChem CID 154194116) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
PubChem CID154194116
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC Name2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide
SMILESNC(N)=NC(=O)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N4O3S/c10-6-1-3-7(4-2-6)17(15,16)5-8(14)13-9(11)12/h1-4H,5,10H2,(H4,11,12,13,14)
InChIKeyAMLMSUSAJYIXNG-UHFFFAOYSA-N
XLogP-1.16
TPSA141.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
4-(chloromethylsulfonyl)aniline
CID 12707626
2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 61368216
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
N-[(4-aminophenyl)sulfonylmethyl]carbamate
CID 23617981
2-[(4-aminophenyl)sulfonylamino]acetamide
CID 3678127
4-[(4-aminophenyl)sulfonylmethyl]aniline
CID 571742
N-(4-aminophenyl)-2-(benzenesulfonyl)acetamide
CID 43444150
acetamide;4-aminobenzenesulfonamide
CID 175093651
2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
CID 63098200
N'-hydroxy-4-[2-[4-(N'-hydroxycarbamimidoyl)phenyl]sulfonylacetyl]benzenecarboximidamide
CID 75969554

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide (CID 154194116) is 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide is NC(N)=NC(=O)CS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide?
The InChIKey is AMLMSUSAJYIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c10-6-1-3-7(4-2-6)17(15,16)5-8(14)13-9(11)12/h1-4H,5,10H2,(H4,11,12,13,14).
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide?
2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide has a molecular weight of 256.29 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-(diaminomethylidene)acetamide is sourced from PubChem (CID 154194116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).