1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea

C11H14ClFN2O3S — CID 86789198

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea
SMILESCCS(=O)(=O)CCNC(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFN2O3S/c1-2-19(17,18)7-6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-5H,2,6-7H2,1H3,(H2,14,15,16)
InChIKeyCGKWQOBUPILCTC-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea

1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea (PubChem CID 86789198) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea
PubChem CID86789198
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea
SMILESCCS(=O)(=O)CCNC(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFN2O3S/c1-2-19(17,18)7-6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-5H,2,6-7H2,1H3,(H2,14,15,16)
InChIKeyCGKWQOBUPILCTC-UHFFFAOYSA-N
XLogP2.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea (CID 86789198) is 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea is CCS(=O)(=O)CCNC(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea?
The InChIKey is CGKWQOBUPILCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c1-2-19(17,18)7-6-14-11(16)15-10-8(12)4-3-5-9(10)13/h3-5H,2,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea?
1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea has a molecular weight of 308.76 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(2-ethylsulfonylethyl)urea is sourced from PubChem (CID 86789198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).