1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea

C13H17FN2O3S — CID 75522528

IUPAC1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea
SMILESCCS(=O)(=O)c1cc(F)ccc1NC(=O)NC1CC1C
InChIInChI=1S/C13H17FN2O3S/c1-3-20(18,19)12-7-9(14)4-5-10(12)15-13(17)16-11-6-8(11)2/h4-5,7-8,11H,3,6H2,1-2H3,(H2,15,16,17)
InChIKeyWDSDTIQRTQTWCC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea

1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea (PubChem CID 75522528) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea
PubChem CID75522528
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea
SMILESCCS(=O)(=O)c1cc(F)ccc1NC(=O)NC1CC1C
InChIInChI=1S/C13H17FN2O3S/c1-3-20(18,19)12-7-9(14)4-5-10(12)15-13(17)16-11-6-8(11)2/h4-5,7-8,11H,3,6H2,1-2H3,(H2,15,16,17)
InChIKeyWDSDTIQRTQTWCC-UHFFFAOYSA-N
XLogP2.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 86791253
4-fluoro-3-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 62410543
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-(2-methylsulfonylphenyl)urea
CID 154755092
2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816695
(5S)-N-(2-ethylsulfonyl-4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 164633233
1-(2,4-difluorophenyl)-3-(4-ethoxyoxolan-3-yl)urea
CID 156608000
methyl 4-fluoro-2-[(2-methylcyclopropyl)sulfamoyl]benzoate
CID 102919514
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid
CID 115340883
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea (CID 75522528) is 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea is CCS(=O)(=O)c1cc(F)ccc1NC(=O)NC1CC1C.
What is the InChIKey of 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea?
The InChIKey is WDSDTIQRTQTWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-3-20(18,19)12-7-9(14)4-5-10(12)15-13(17)16-11-6-8(11)2/h4-5,7-8,11H,3,6H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea?
1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea has a molecular weight of 300.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 75522528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).