N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide

C9H13N5O3S — CID 10683513

IUPACN-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN=C(N)N)cc1
InChIInChI=1S/C9H13N5O3S/c1-6(15)12-7-2-4-8(5-3-7)18(16,17)14-13-9(10)11/h2-5,14H,1H3,(H,12,15)(H4,10,11,13)
InChIKeyJYEQFJONRCBKJF-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.89
Rot. Bonds4

About N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide

N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide (PubChem CID 10683513) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide
PubChem CID10683513
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC NameN-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN=C(N)N)cc1
InChIInChI=1S/C9H13N5O3S/c1-6(15)12-7-2-4-8(5-3-7)18(16,17)14-13-9(10)11/h2-5,14H,1H3,(H,12,15)(H4,10,11,13)
InChIKeyJYEQFJONRCBKJF-UHFFFAOYSA-N
XLogP-0.89
TPSA139.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sulfacetamide
CID 5320
N4-Acetylsulfanilamide
CID 8482
Monoacetyldapsone
CID 11257
N-Acetylsulfanilyl chloride
CID 8481
Sodium Sulfacetamide
CID 4022878
Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
4-[(Anilinocarbonyl)amino]benzenesulfonamide
CID 306924
4'-Mercaptoacetanilide
CID 70777
Carbasulam
CID 15679
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474
2-cyano-N-(4-sulfamoylphenyl)acetamide
CID 2357187
Benzenesulfonyl fluoride, 4-(acetylamino)-
CID 67608

Frequently Asked Questions

What is the IUPAC name of N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide (CID 10683513) is N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NN=C(N)N)cc1.
What is the InChIKey of N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide?
The InChIKey is JYEQFJONRCBKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-6(15)12-7-2-4-8(5-3-7)18(16,17)14-13-9(10)11/h2-5,14H,1H3,(H,12,15)(H4,10,11,13).
What are the key properties of N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide?
N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide has a molecular weight of 271.30 g/mol, XLogP of -0.89, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(diaminomethylideneamino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 10683513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).