4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide

C21H20FN3O3S — CID 22519229

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C21H20FN3O3S/c1-14-11-16(22)7-8-18(14)23-21(26)20-12-17(13-24(20)2)29(27,28)25-10-9-15-5-3-4-6-19(15)25/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)
InChIKeyUEYOQODKMFCVCI-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.48
Rot. Bonds4

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 22519229) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID22519229
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C
InChIInChI=1S/C21H20FN3O3S/c1-14-11-16(22)7-8-18(14)23-21(26)20-12-17(13-24(20)2)29(27,28)25-10-9-15-5-3-4-6-19(15)25/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)
InChIKeyUEYOQODKMFCVCI-UHFFFAOYSA-N
XLogP3.48
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 52914548
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CID 2578261
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CID 2718685
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CID 3243572
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CID 6623939
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CID 6625570
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CID 6625756
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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide (CID 22519229) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)cn1C.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is UEYOQODKMFCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-14-11-16(22)7-8-18(14)23-21(26)20-12-17(13-24(20)2)29(27,28)25-10-9-15-5-3-4-6-19(15)25/h3-8,11-13H,9-10H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 22519229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).