1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea

C15H16FN3O3S — CID 24818675

IUPAC1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2F)c(C)c1
InChIInChI=1S/C15H16FN3O3S/c1-10-7-8-14(11(2)9-10)23(21,22)19-18-15(20)17-13-6-4-3-5-12(13)16/h3-9,19H,1-2H3,(H2,17,18,20)
InChIKeyXWIGWAGHRJZIGO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.46
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea

1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea (PubChem CID 24818675) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea
PubChem CID24818675
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2F)c(C)c1
InChIInChI=1S/C15H16FN3O3S/c1-10-7-8-14(11(2)9-10)23(21,22)19-18-15(20)17-13-6-4-3-5-12(13)16/h3-9,19H,1-2H3,(H2,17,18,20)
InChIKeyXWIGWAGHRJZIGO-UHFFFAOYSA-N
XLogP2.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea (CID 24818675) is 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea is Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2F)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea?
The InChIKey is XWIGWAGHRJZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-10-7-8-14(11(2)9-10)23(21,22)19-18-15(20)17-13-6-4-3-5-12(13)16/h3-9,19H,1-2H3,(H2,17,18,20).
What are the key properties of 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea?
1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea has a molecular weight of 337.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)sulfonylamino]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 24818675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).