4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

C21H20FN3O3S — CID 22519208

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3S/c1-24-14-18(29(27,28)25-11-10-16-4-2-3-5-19(16)25)12-20(24)21(26)23-13-15-6-8-17(22)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,23,26)
InChIKeyQQPKPAKQLCZQTK-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.85
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 22519208) 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-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID22519208
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3S/c1-24-14-18(29(27,28)25-11-10-16-4-2-3-5-19(16)25)12-20(24)21(26)23-13-15-6-8-17(22)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,23,26)
InChIKeyQQPKPAKQLCZQTK-UHFFFAOYSA-N
XLogP2.85
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 58975118
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 22519166
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrole-2-carboxamide
CID 55737275
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide
CID 71959996
4-[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 154852961
N-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxamide
CID 154836055
[4-(2,3-dihydroindol-1-ylsulfonyl)-1-methylpyrrol-2-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 22519198
1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrole-2-carboxamide
CID 46468442
1-methyl-4-piperidin-1-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrrole-2-carboxamide
CID 46409954
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56577258
N-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 53369192

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 22519208) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is QQPKPAKQLCZQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-24-14-18(29(27,28)25-11-10-16-4-2-3-5-19(16)25)12-20(24)21(26)23-13-15-6-8-17(22)9-7-15/h2-9,12,14H,10-11,13H2,1H3,(H,23,26).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.85, 5 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-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 22519208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).