1-(pentafluoro-λ6-sulfanyl)-1-phenylurea

C7H7F5N2OS — CID 135203261

IUPAC1-(pentafluoro-λ6-sulfanyl)-1-phenylurea
SMILESNC(=O)N(c1ccccc1)S(F)(F)(F)(F)F
InChIInChI=1S/C7H7F5N2OS/c8-16(9,10,11,12)14(7(13)15)6-4-2-1-3-5-6/h1-5H,(H2,13,15)
InChIKeyVEHOFTBYPOXFHS-UHFFFAOYSA-N
MW262.20 g/mol
LogP3.79
Rot. Bonds2

About 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea

1-(pentafluoro-λ6-sulfanyl)-1-phenylurea (PubChem CID 135203261) has the molecular formula C7H7F5N2OS and a molecular weight of 262.20 g/mol. Its IUPAC name is 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea.

Molecular Properties

Compound Name1-(pentafluoro-λ6-sulfanyl)-1-phenylurea
PubChem CID135203261
Molecular FormulaC7H7F5N2OS
Molecular Weight262.20 g/mol
Exact Mass262.02
IUPAC Name1-(pentafluoro-λ6-sulfanyl)-1-phenylurea
SMILESNC(=O)N(c1ccccc1)S(F)(F)(F)(F)F
InChIInChI=1S/C7H7F5N2OS/c8-16(9,10,11,12)14(7(13)15)6-4-2-1-3-5-6/h1-5H,(H2,13,15)
InChIKeyVEHOFTBYPOXFHS-UHFFFAOYSA-N
XLogP3.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diphenylurea
CID 174849888
1-methyl-1-(N-methylanilino)urea
CID 154254582
1-(2-fluorophenyl)-1-phenylurea
CID 150840267
1-methylsulfonyl-1-phenylurea
CID 67458693
butane;1,1-diphenylurea
CID 70397101
1-(disulfanyl)-1-phenylurea
CID 88741574
1-tert-butyl-1-phenylurea
CID 19102233
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1-methoxy-1-phenylurea
CID 15620442
1-[4-(2-oxoethyl)phenyl]-1-phenylurea
CID 91426853
N',N'-diphenyldodecanediamide
CID 70400318
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578

Frequently Asked Questions

What is the IUPAC name of 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea?
The IUPAC name of 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea (CID 135203261) is 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea.
What is the SMILES notation for 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea?
The canonical SMILES for 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea is NC(=O)N(c1ccccc1)S(F)(F)(F)(F)F.
What is the InChIKey of 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea?
The InChIKey is VEHOFTBYPOXFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2OS/c8-16(9,10,11,12)14(7(13)15)6-4-2-1-3-5-6/h1-5H,(H2,13,15).
What are the key properties of 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea?
1-(pentafluoro-λ6-sulfanyl)-1-phenylurea has a molecular weight of 262.20 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentafluoro-λ6-sulfanyl)-1-phenylurea is sourced from PubChem (CID 135203261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).