1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

C17H18F3N3O3S — CID 22518956

IUPAC1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3S/c1-22-11-14(27(25,26)23-7-2-3-8-23)10-15(22)16(24)21-13-6-4-5-12(9-13)17(18,19)20/h4-6,9-11H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyFEWLCGYQIZQBDT-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.08
Rot. Bonds4

About 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 22518956) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
PubChem CID22518956
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3S/c1-22-11-14(27(25,26)23-7-2-3-8-23)10-15(22)16(24)21-13-6-4-5-12(9-13)17(18,19)20/h4-6,9-11H,2-3,7-8H2,1H3,(H,21,24)
InChIKeyFEWLCGYQIZQBDT-UHFFFAOYSA-N
XLogP3.08
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-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-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52914105
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
4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 16018573

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (CID 22518956) is 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is FEWLCGYQIZQBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-22-11-14(27(25,26)23-7-2-3-8-23)10-15(22)16(24)21-13-6-4-5-12(9-13)17(18,19)20/h4-6,9-11H,2-3,7-8H2,1H3,(H,21,24).
What are the key properties of 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 22518956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).