1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea

C17H18FN3O3S — CID 46386129

IUPAC1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea
SMILESCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C17H18FN3O3S/c1-2-25(23,24)21-9-8-12-6-7-15(11-16(12)21)20-17(22)19-14-5-3-4-13(18)10-14/h3-7,10-11H,2,8-9H2,1H3,(H2,19,20,22)
InChIKeyGXAJUDVJSQCNRA-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.18
Rot. Bonds4

About 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea

1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea (PubChem CID 46386129) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea
PubChem CID46386129
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea
SMILESCCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(F)c3)cc21
InChIInChI=1S/C17H18FN3O3S/c1-2-25(23,24)21-9-8-12-6-7-15(11-16(12)21)20-17(22)19-14-5-3-4-13(18)10-14/h3-7,10-11H,2,8-9H2,1H3,(H2,19,20,22)
InChIKeyGXAJUDVJSQCNRA-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea (CID 46386129) is 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea is CCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3cccc(F)c3)cc21.
What is the InChIKey of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea?
The InChIKey is GXAJUDVJSQCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-2-25(23,24)21-9-8-12-6-7-15(11-16(12)21)20-17(22)19-14-5-3-4-13(18)10-14/h3-7,10-11H,2,8-9H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea?
1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea has a molecular weight of 363.41 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 46386129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).