N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

C17H20FN3O3S — CID 22519015

IUPACN-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C17H20FN3O3S/c1-12-9-13(18)5-6-15(12)19-17(22)16-10-14(11-20(16)2)25(23,24)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyGSCNTLXWUJIMRJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.51
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 22519015) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID22519015
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C
InChIInChI=1S/C17H20FN3O3S/c1-12-9-13(18)5-6-15(12)19-17(22)16-10-14(11-20(16)2)25(23,24)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,22)
InChIKeyGSCNTLXWUJIMRJ-UHFFFAOYSA-N
XLogP2.51
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-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

Bersacapavir
CID 121294984
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913660
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914548
ethyl 4-({[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3243572
4-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-ethyl-1-methyl-N-phenyl-1H-pyrrole-2-carboxamide
CID 6623939
1-[1-Methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]-4-phenylpiperazine
CID 6625570
N,1-Dimethyl-N-(4-methylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6625756
N-(4-Ethylphenyl)-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxamide
CID 6626029
1-(2,5-Dimethylphenyl)-4-[1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]piperazine
CID 16017803
1-Methyl-4-(pyrrolidine-1-sulfonyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16017823
N-(2,6-diethylphenyl)-4-(2,3-dihydro-1H-indole-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 16017885

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide (CID 22519015) is N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)cn1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is GSCNTLXWUJIMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12-9-13(18)5-6-15(12)19-17(22)16-10-14(11-20(16)2)25(23,24)21-7-3-4-8-21/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 22519015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).