1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea

C11H7Cl3N2OS — CID 597575

IUPAC1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl3N2OS/c12-6-1-3-7(4-2-6)15-11(17)16-8-5-9(13)18-10(8)14/h1-5H,(H2,15,16,17)
InChIKeyATSYDUMDYSZPLK-UHFFFAOYSA-N
MW321.62 g/mol
LogP5.35
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea

1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea (PubChem CID 597575) has the molecular formula C11H7Cl3N2OS and a molecular weight of 321.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea
PubChem CID597575
Molecular FormulaC11H7Cl3N2OS
Molecular Weight321.62 g/mol
Exact Mass319.93
IUPAC Name1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl3N2OS/c12-6-1-3-7(4-2-6)15-11(17)16-8-5-9(13)18-10(8)14/h1-5H,(H2,15,16,17)
InChIKeyATSYDUMDYSZPLK-UHFFFAOYSA-N
XLogP5.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.62
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-N'-(5-nitro-3-thienyl)urea
CID 2806293
N1-(4-chlorophenyl)-2-(2-thienylthio)acetamide
CID 2819664
N-(4-chlorophenyl)-N'-(5-nitro-3-thienyl)urea
CID 2806295
1-(2,6-Dichlorophenyl)-3-(5-nitrothiophen-3-yl)urea
CID 2806296
N-[3-chloro-4-(isopropylsulfonyl)-2-thienyl]-N'-(4-chlorophenyl)urea
CID 2819678
N-(4-chlorophenyl)-N'-[4-(isopropylsulfonyl)-2-thienyl]urea
CID 2820034
1-(5-tert-Butyl-thiophen-3-yl)-3-(2,3-dichloro-phenyl)-urea
CID 44305055
1-(4-Chlorophenyl)-3-(5-phenylthiophen-2-yl)urea
CID 123128346
1-(4-Chlorophenyl)-3-(5-phenylthiophen-3-yl)urea
CID 155436719
N-(4-chlorophenyl)-N'-[3-(methylthio)phenyl]urea
CID 303365
N-(4-chlorophenyl)-N'-[2-(methylthio)phenyl]urea
CID 2243648
1-(4-Chlorophenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2257886

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea (CID 597575) is 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)sc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea?
The InChIKey is ATSYDUMDYSZPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2OS/c12-6-1-3-7(4-2-6)15-11(17)16-8-5-9(13)18-10(8)14/h1-5H,(H2,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea?
1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea has a molecular weight of 321.62 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,5-dichlorothiophen-3-yl)urea is sourced from PubChem (CID 597575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).