N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride

C19H18ClF3N2O3S — CID 66925129

IUPACN-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1.Cl
InChIInChI=1S/C19H17F3N2O3S.ClH/c1-23-12-14-11-18(15-5-3-2-4-6-15)24(13-14)28(25,26)17-9-7-16(8-10-17)27-19(20,21)22;/h2-11,13,23H,12H2,1H3;1H
InChIKeyMGBXPKCXYNDARY-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.43
Rot. Bonds6

About N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride

N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride (PubChem CID 66925129) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
PubChem CID66925129
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC NameN-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1.Cl
InChIInChI=1S/C19H17F3N2O3S.ClH/c1-23-12-14-11-18(15-5-3-2-4-6-15)24(13-14)28(25,26)17-9-7-16(8-10-17)27-19(20,21)22;/h2-11,13,23H,12H2,1H3;1H
InChIKeyMGBXPKCXYNDARY-UHFFFAOYSA-N
XLogP4.43
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride (CID 66925129) is N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1.Cl.
What is the InChIKey of N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride?
The InChIKey is MGBXPKCXYNDARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S.ClH/c1-23-12-14-11-18(15-5-3-2-4-6-15)24(13-14)28(25,26)17-9-7-16(8-10-17)27-19(20,21)22;/h2-11,13,23H,12H2,1H3;1H.
What are the key properties of N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride?
N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride has a molecular weight of 446.88 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 66925129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).