Sodium 4-sulfophenylurea

C7H8N2NaO4S — CID 87590877

IUPAC—
SMILESNC(=O)Nc1ccc(S(=O)(=O)O)cc1.[Na]
InChIInChI=1S/C7H8N2O4S.Na/c8-7(10)9-5-1-3-6(4-2-5)14(11,12)13;/h1-4H,(H3,8,9,10)(H,11,12,13);
InChIKeyWGYUENQKWFVWMD-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.04
Rot. Bonds2

About Sodium 4-sulfophenylurea

Sodium 4-sulfophenylurea (PubChem CID 87590877) has the molecular formula C7H8N2NaO4S and a molecular weight of 239.21 g/mol.

Molecular Properties

Compound NameSodium 4-sulfophenylurea
PubChem CID87590877
Molecular FormulaC7H8N2NaO4S
Molecular Weight239.21 g/mol
Exact Mass239.01
IUPAC Name—
SMILESNC(=O)Nc1ccc(S(=O)(=O)O)cc1.[Na]
InChIInChI=1S/C7H8N2O4S.Na/c8-7(10)9-5-1-3-6(4-2-5)14(11,12)13;/h1-4H,(H3,8,9,10)(H,11,12,13);
InChIKeyWGYUENQKWFVWMD-UHFFFAOYSA-N
XLogP0.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-acetamidobenzenesulfonic acid chloride
CID 53446633
4-(methylcarbamoylamino)benzenesulfonic acid
CID 58709255
4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid
CID 88780104
4-(ethanethioylamino)benzenesulfonic acid
CID 22955667
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
4-(4-sulfophenyl)benzenesulfonic acid;urea
CID 158180603
potassium;4-[(1-amino-2,2-dicyanoethenyl)amino]benzenesulfonic acid;hydride
CID 173442227
(4-bromophenyl)urea
CID 16074
4-(pyridine-4-carbonylamino)benzenesulfonic acid
CID 25248911
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
4-(2,2,3-trimethylbutanoylamino)benzenesulfonic acid
CID 54106599
4-[(2-hydroxyphenyl)carbamoylamino]benzenesulfonic acid
CID 108871359

Frequently Asked Questions

What is the IUPAC name of Sodium 4-sulfophenylurea?
The IUPAC name of Sodium 4-sulfophenylurea (CID 87590877) is not available.
What is the SMILES notation for Sodium 4-sulfophenylurea?
The canonical SMILES for Sodium 4-sulfophenylurea is NC(=O)Nc1ccc(S(=O)(=O)O)cc1.[Na].
What is the InChIKey of Sodium 4-sulfophenylurea?
The InChIKey is WGYUENQKWFVWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S.Na/c8-7(10)9-5-1-3-6(4-2-5)14(11,12)13;/h1-4H,(H3,8,9,10)(H,11,12,13);.
What are the key properties of Sodium 4-sulfophenylurea?
Sodium 4-sulfophenylurea has a molecular weight of 239.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium 4-sulfophenylurea is sourced from PubChem (CID 87590877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).