1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride

C19H17ClF4N2O2S — CID 66925302

IUPAC1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C19H16F4N2O2S.ClH/c1-24-11-13-10-18(16-4-2-3-5-17(16)19(21,22)23)25(12-13)28(26,27)15-8-6-14(20)7-9-15;/h2-10,12,24H,11H2,1H3;1H
InChIKeyWRLYUPISLPLILP-UHFFFAOYSA-N
MW448.87 g/mol
LogP4.69
Rot. Bonds5

About 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride

1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 66925302) has the molecular formula C19H17ClF4N2O2S and a molecular weight of 448.87 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID66925302
Molecular FormulaC19H17ClF4N2O2S
Molecular Weight448.87 g/mol
Exact Mass448.06
IUPAC Name1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2ccc(F)cc2)c1.Cl
InChIInChI=1S/C19H16F4N2O2S.ClH/c1-24-11-13-10-18(16-4-2-3-5-17(16)19(21,22)23)25(12-13)28(26,27)15-8-6-14(20)7-9-15;/h2-10,12,24H,11H2,1H3;1H
InChIKeyWRLYUPISLPLILP-UHFFFAOYSA-N
XLogP4.69
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride 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

N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
CID 66925129
1-[5-(2-fluorophenyl)-1-(1-oxidopyridin-1-ium-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 163197631
1-[5-(2,4-difluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66924833
1,1,1-trideuterio-N-[[5-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrol-3-yl]methyl]methanamine
CID 164883775
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 66925084
1-[5-(2-fluorophenyl)-1-[3-[3-(trifluoromethoxy)phenyl]phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 167310301
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084101
N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
CID 171614405

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride (CID 66925302) is 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1cc(-c2ccccc2C(F)(F)F)n(S(=O)(=O)c2ccc(F)cc2)c1.Cl.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WRLYUPISLPLILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2S.ClH/c1-24-11-13-10-18(16-4-2-3-5-17(16)19(21,22)23)25(12-13)28(26,27)15-8-6-14(20)7-9-15;/h2-10,12,24H,11H2,1H3;1H.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 448.87 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonyl-5-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 66925302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).