(4-aminophenyl)sulfonylurea

C7H9N3O3S — CID 11033

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IUPAC(4-aminophenyl)sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
InChIKeyWVAKABMNNSMCDK-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.37
Rot. Bonds2

About (4-aminophenyl)sulfonylurea

(4-aminophenyl)sulfonylurea (PubChem CID 11033) has the molecular formula C7H9N3O3S and a molecular weight of 215.23 g/mol. Its IUPAC name is (4-aminophenyl)sulfonylurea.

Molecular Properties

Compound Name(4-aminophenyl)sulfonylurea
PubChem CID11033
Molecular FormulaC7H9N3O3S
Molecular Weight215.23 g/mol
Exact Mass215.04
IUPAC Name(4-aminophenyl)sulfonylurea
SMILESNC(=O)NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)
InChIKeyWVAKABMNNSMCDK-UHFFFAOYSA-N
XLogP-0.37
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Sulfanilamide
CID 5333
Sulfacetamide
CID 5320
Sulfanilic acid
CID 8479
Asulam
CID 18752
N4-Acetylsulfanilamide
CID 8482
Carbutamide
CID 9564
Sulfaguanidine
CID 5324
Sodium sulfanilate
CID 23664644
2-Aminobenzenesulfonamide
CID 72894
Benzenesulfonamide, 3-amino-
CID 7377
Sulfathiourea
CID 3000579
Asulam-sodium
CID 13389335

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)sulfonylurea?
The IUPAC name of (4-aminophenyl)sulfonylurea (CID 11033) is (4-aminophenyl)sulfonylurea.
What is the SMILES notation for (4-aminophenyl)sulfonylurea?
The canonical SMILES for (4-aminophenyl)sulfonylurea is NC(=O)NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)sulfonylurea?
The InChIKey is WVAKABMNNSMCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11).
What are the key properties of (4-aminophenyl)sulfonylurea?
(4-aminophenyl)sulfonylurea has a molecular weight of 215.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)sulfonylurea is sourced from PubChem (CID 11033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).