N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C17H17FN2O3S — CID 5295583

IUPACN-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C17H17FN2O3S/c1-11-14(18)4-3-5-15(11)19-17(21)13-6-7-16-12(10-13)8-9-20(16)24(2,22)23/h3-7,10H,8-9H2,1-2H3,(H,19,21)
InChIKeyJOIVLUFLGJYOCA-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.71
Rot. Bonds3

About N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 5295583) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID5295583
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1c(F)cccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C17H17FN2O3S/c1-11-14(18)4-3-5-15(11)19-17(21)13-6-7-16-12(10-13)8-9-20(16)24(2,22)23/h3-7,10H,8-9H2,1-2H3,(H,19,21)
InChIKeyJOIVLUFLGJYOCA-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 5295583) is N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1c(F)cccc1NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is JOIVLUFLGJYOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-11-14(18)4-3-5-15(11)19-17(21)13-6-7-16-12(10-13)8-9-20(16)24(2,22)23/h3-7,10H,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 5295583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).