1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea

C11H11ClN2O3S — CID 3408901

IUPAC1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C11H11ClN2O3S/c12-8-1-3-9(4-2-8)13-11(15)14-10-5-6-18(16,17)7-10/h1-6,10H,7H2,(H2,13,14,15)
InChIKeyBRRGNZGYGKAVIF-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.77
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea

1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea (PubChem CID 3408901) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
PubChem CID3408901
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1C=CS(=O)(=O)C1
InChIInChI=1S/C11H11ClN2O3S/c12-8-1-3-9(4-2-8)13-11(15)14-10-5-6-18(16,17)7-10/h1-6,10H,7H2,(H2,13,14,15)
InChIKeyBRRGNZGYGKAVIF-UHFFFAOYSA-N
XLogP1.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(4-methoxyphenyl)urea
CID 43827955
cyclopentyl 4-[[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]carbamoylamino]benzoate
CID 97444335
1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
CID 147474562
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(2-adamantyl)-3-(4-chlorophenyl)urea
CID 23581963
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
methyl 4-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
CID 3359332
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetamide
CID 81322778

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea (CID 3408901) is 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1C=CS(=O)(=O)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea?
The InChIKey is BRRGNZGYGKAVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c12-8-1-3-9(4-2-8)13-11(15)14-10-5-6-18(16,17)7-10/h1-6,10H,7H2,(H2,13,14,15).
What are the key properties of 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea?
1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea has a molecular weight of 286.74 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)urea is sourced from PubChem (CID 3408901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).