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

C20H18FN3O3S — CID 22519166

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H18FN3O3S/c1-23-13-15(12-19(23)20(25)22-17-8-4-3-7-16(17)21)28(26,27)24-11-10-14-6-2-5-9-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeyMAPAPVFYZXOTEV-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.17
Rot. Bonds4

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

4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 22519166) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
PubChem CID22519166
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H18FN3O3S/c1-23-13-15(12-19(23)20(25)22-17-8-4-3-7-16(17)21)28(26,27)24-11-10-14-6-2-5-9-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,22,25)
InChIKeyMAPAPVFYZXOTEV-UHFFFAOYSA-N
XLogP3.17
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 22519208
4-(2,3-dihydroindol-1-ylsulfonyl)-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrole-2-carboxamide
CID 71959996
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230
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
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
N-(4-bromo-2-fluorophenyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluorobenzamide
CID 4056630
[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-(2-piperidin-1-ylsulfonylphenyl)pyrrole-2-carboxamide
CID 55919434
N-(4-chloro-2-fluorophenyl)-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53087240
4-(diethylsulfamoyl)-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55817209
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide (CID 22519166) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)Nc1ccccc1F.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is MAPAPVFYZXOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-23-13-15(12-19(23)20(25)22-17-8-4-3-7-16(17)21)28(26,27)24-11-10-14-6-2-5-9-18(14)24/h2-9,12-13H,10-11H2,1H3,(H,22,25).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.17, 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-(2-fluorophenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 22519166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).