1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea

C17H18FN3O3S — CID 46389850

IUPAC1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1F
InChIInChI=1S/C17H18FN3O3S/c1-11-3-4-14(10-15(11)18)20-17(22)19-13-5-6-16-12(9-13)7-8-21(16)25(2,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,22)
InChIKeySUZMTKSACMNARD-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.10
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea

1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea (PubChem CID 46389850) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
PubChem CID46389850
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1F
InChIInChI=1S/C17H18FN3O3S/c1-11-3-4-14(10-15(11)18)20-17(22)19-13-5-6-16-12(9-13)7-8-21(16)25(2,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,22)
InChIKeySUZMTKSACMNARD-UHFFFAOYSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
3-(2-fluorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
CID 110623465
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea
CID 46389735
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
CID 110623482

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea (CID 46389850) is 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(C)(=O)=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
The InChIKey is SUZMTKSACMNARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-11-3-4-14(10-15(11)18)20-17(22)19-13-5-6-16-12(9-13)7-8-21(16)25(2,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea?
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea has a molecular weight of 363.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea is sourced from PubChem (CID 46389850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).