1-(2-aminophenyl)sulfonyl-3-methylurea

C8H11N3O3S — CID 116645969

IUPAC1-(2-aminophenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C8H11N3O3S/c1-10-8(12)11-15(13,14)7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H2,10,11,12)
InChIKeyHKMZDOQKVXOMEF-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.11
Rot. Bonds2

About 1-(2-aminophenyl)sulfonyl-3-methylurea

1-(2-aminophenyl)sulfonyl-3-methylurea (PubChem CID 116645969) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 1-(2-aminophenyl)sulfonyl-3-methylurea.

Molecular Properties

Compound Name1-(2-aminophenyl)sulfonyl-3-methylurea
PubChem CID116645969
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name1-(2-aminophenyl)sulfonyl-3-methylurea
SMILESCNC(=O)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C8H11N3O3S/c1-10-8(12)11-15(13,14)7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H2,10,11,12)
InChIKeyHKMZDOQKVXOMEF-UHFFFAOYSA-N
XLogP-0.11
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.11
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

2-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788214
4-amino-N-(2-aminophenyl)sulfonylbenzamide
CID 166788216
1-(2-aminophenyl)sulfonyl-3-(3-chlorophenyl)urea
CID 150889345
2-[(2-aminophenyl)sulfonylamino]-N-methylbenzamide
CID 43576281
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
CID 116646022
4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
(2-methylphenyl)sulfonylurea
CID 20975378

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)sulfonyl-3-methylurea?
The IUPAC name of 1-(2-aminophenyl)sulfonyl-3-methylurea (CID 116645969) is 1-(2-aminophenyl)sulfonyl-3-methylurea.
What is the SMILES notation for 1-(2-aminophenyl)sulfonyl-3-methylurea?
The canonical SMILES for 1-(2-aminophenyl)sulfonyl-3-methylurea is CNC(=O)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)sulfonyl-3-methylurea?
The InChIKey is HKMZDOQKVXOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-10-8(12)11-15(13,14)7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-aminophenyl)sulfonyl-3-methylurea?
1-(2-aminophenyl)sulfonyl-3-methylurea has a molecular weight of 229.26 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)sulfonyl-3-methylurea is sourced from PubChem (CID 116645969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).