5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide

C21H16FN3O3S2 — CID 175592292

IUPAC5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(-c3ccsc3)c2)c1
InChIInChI=1S/C21H16FN3O3S2/c1-23-21(26)16-9-20(18-4-2-3-5-19(18)22)25(12-16)30(27,28)17-8-15(10-24-11-17)14-6-7-29-13-14/h2-13H,1H3,(H,23,26)
InChIKeyGFSWENMZWMCMMM-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.01
Rot. Bonds5

About 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide

5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide (PubChem CID 175592292) has the molecular formula C21H16FN3O3S2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide
PubChem CID175592292
Molecular FormulaC21H16FN3O3S2
Molecular Weight441.51 g/mol
Exact Mass441.06
IUPAC Name5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(-c3ccsc3)c2)c1
InChIInChI=1S/C21H16FN3O3S2/c1-23-21(26)16-9-20(18-4-2-3-5-19(18)22)25(12-16)30(27,28)17-8-15(10-24-11-17)14-6-7-29-13-14/h2-13H,1H3,(H,23,26)
InChIKeyGFSWENMZWMCMMM-UHFFFAOYSA-N
XLogP4.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine
CID 175421654
N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide
CID 175590529
2-[[5-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonyl-3-pyridinyl]sulfanyl]-1-(methylamino)ethanol
CID 175482037
N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
CID 171614405
1-(benzenesulfonyl)-2-(2-fluorophenyl)-4-methylpyrrole
CID 175170999
(E)-but-2-enedioic acid;1-[2-(2-fluorophenyl)-1-thiophen-3-ylsulfonylimidazol-4-yl]-N-methylmethanamine
CID 68746051
1-[5-(2-fluorophenyl)-1-[3-[5-(1,2,2-trifluoroethoxy)-3-pyridinyl]phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 175421640
methyl 2-[5-[2-(2-fluorophenyl)-4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrol-1-yl]sulfonyl-3-pyridinyl]acetate
CID 172556565
5-(2-fluorophenyl)-1-[[5-(3-methoxypropoxy)-3-pyridinyl]sulfonyl]pyrrole-3-carbaldehyde
CID 166463351
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780
(E)-but-2-enedioic acid;1,1,1-trideuterio-N-[deuterio-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methyl]methanamine
CID 163322704
tert-butyl N-[[5-(2-fluorophenyl)-1-[3-(5-methoxy-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]methyl]-N-methylcarbamate
CID 166463381

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide (CID 175592292) is 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide is CNC(=O)c1cc(-c2ccccc2F)n(S(=O)(=O)c2cncc(-c3ccsc3)c2)c1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide?
The InChIKey is GFSWENMZWMCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S2/c1-23-21(26)16-9-20(18-4-2-3-5-19(18)22)25(12-16)30(27,28)17-8-15(10-24-11-17)14-6-7-29-13-14/h2-13H,1H3,(H,23,26).
What are the key properties of 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide?
5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-1-[(5-thiophen-3-yl-3-pyridinyl)sulfonyl]pyrrole-3-carboxamide is sourced from PubChem (CID 175592292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).