1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea

C19H12F2N4O5S — CID 3386859

IUPAC1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H12F2N4O5S/c20-11-5-7-14(13(21)9-11)22-19(26)23-15-3-1-2-4-17(15)31-18-8-6-12(24(27)28)10-16(18)25(29)30/h1-10H,(H2,22,23,26)
InChIKeyAGMNARORZLCVKV-UHFFFAOYSA-N
MW446.39 g/mol
LogP5.58
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea

1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea (PubChem CID 3386859) has the molecular formula C19H12F2N4O5S and a molecular weight of 446.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea
PubChem CID3386859
Molecular FormulaC19H12F2N4O5S
Molecular Weight446.39 g/mol
Exact Mass446.05
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C19H12F2N4O5S/c20-11-5-7-14(13(21)9-11)22-19(26)23-15-3-1-2-4-17(15)31-18-8-6-12(24(27)28)10-16(18)25(29)30/h1-10H,(H2,22,23,26)
InChIKeyAGMNARORZLCVKV-UHFFFAOYSA-N
XLogP5.58
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(2,4-dinitrophenyl)sulfanylphenyl]-3-naphthalen-1-ylurea
CID 5218625
1-(2,5-difluorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431163
1-(2,4-difluorophenyl)-3-(N-methyl-2,4-dinitroanilino)urea
CID 4546965
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(2-chlorophenyl)-3-[2-(4-nitrophenyl)sulfanylphenyl]urea
CID 18431132
2-fluoro-N-(2-methylsulfanylphenyl)-5-nitrobenzamide
CID 61042259
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721
4-chloro-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]benzamide
CID 2818597
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732885
N-(2,4-difluorophenyl)-3-(4-nitrophenyl)sulfanylbenzamide
CID 70867918
1-(2-fluoro-4-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 141330135

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea (CID 3386859) is 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea is O=C(Nc1ccc(F)cc1F)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea?
The InChIKey is AGMNARORZLCVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O5S/c20-11-5-7-14(13(21)9-11)22-19(26)23-15-3-1-2-4-17(15)31-18-8-6-12(24(27)28)10-16(18)25(29)30/h1-10H,(H2,22,23,26).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea?
1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea has a molecular weight of 446.39 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[2-(2,4-dinitrophenyl)sulfanylphenyl]urea is sourced from PubChem (CID 3386859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).