1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea

C16H15ClFN3O3S — CID 46386232

IUPAC1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccc(Cl)cc3F)cc21
InChIInChI=1S/C16H15ClFN3O3S/c1-25(23,24)21-7-6-10-2-4-12(9-15(10)21)19-16(22)20-14-5-3-11(17)8-13(14)18/h2-5,8-9H,6-7H2,1H3,(H2,19,20,22)
InChIKeyOSPVHRXFNABIOZ-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.45
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea

1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386232) has the molecular formula C16H15ClFN3O3S and a molecular weight of 383.83 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386232
Molecular FormulaC16H15ClFN3O3S
Molecular Weight383.83 g/mol
Exact Mass383.05
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccc(Cl)cc3F)cc21
InChIInChI=1S/C16H15ClFN3O3S/c1-25(23,24)21-7-6-10-2-4-12(9-15(10)21)19-16(22)20-14-5-3-11(17)8-13(14)18/h2-5,8-9H,6-7H2,1H3,(H2,19,20,22)
InChIKeyOSPVHRXFNABIOZ-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
1-(5-chloro-2-methoxyphenyl)-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372695
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
N-(2-fluoro-4-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160429
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623667
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389806
1-(1,3-benzodioxol-5-yl)-3-(4-chloro-2-fluorophenyl)urea
CID 6465931
4-fluoro-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)benzenesulfonamide
CID 112506309

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386232) is 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is CS(=O)(=O)N1CCc2ccc(NC(=O)Nc3ccc(Cl)cc3F)cc21.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is OSPVHRXFNABIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O3S/c1-25(23,24)21-7-6-10-2-4-12(9-15(10)21)19-16(22)20-14-5-3-11(17)8-13(14)18/h2-5,8-9H,6-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 383.83 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).