1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea

C13H11FN2OS — CID 43836137

IUPAC1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
SMILESO=C(Nc1ccc(S)cc1)Nc1cccc(F)c1
InChIInChI=1S/C13H11FN2OS/c14-9-2-1-3-11(8-9)16-13(17)15-10-4-6-12(18)7-5-10/h1-8,18H,(H2,15,16,17)
InChIKeyJVJLVMYTRTVMCB-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.76
Rot. Bonds2

About 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea

1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea (PubChem CID 43836137) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
PubChem CID43836137
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
SMILESO=C(Nc1ccc(S)cc1)Nc1cccc(F)c1
InChIInChI=1S/C13H11FN2OS/c14-9-2-1-3-11(8-9)16-13(17)15-10-4-6-12(18)7-5-10/h1-8,18H,(H2,15,16,17)
InChIKeyJVJLVMYTRTVMCB-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)carbamoylamino]-4-nitrophenyl]urea
CID 4142280
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
CID 808394
1-(3-fluorophenyl)-3-[(E)-prop-1-enyl]urea
CID 108909659

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea (CID 43836137) is 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea is O=C(Nc1ccc(S)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea?
The InChIKey is JVJLVMYTRTVMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-9-2-1-3-11(8-9)16-13(17)15-10-4-6-12(18)7-5-10/h1-8,18H,(H2,15,16,17).
What are the key properties of 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea?
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea has a molecular weight of 262.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea is sourced from PubChem (CID 43836137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).