1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine

C19H16ClF3N2O2S — CID 66924707

IUPAC1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C19H16ClF3N2O2S/c1-24-12-14-11-17(13-5-3-2-4-6-13)25(18(14)20)28(26,27)16-9-7-15(8-10-16)19(21,22)23/h2-11,24H,12H2,1H3
InChIKeyJWYNHGLTKYYINN-UHFFFAOYSA-N
MW428.86 g/mol
LogP4.78
Rot. Bonds5

About 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine

1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66924707) has the molecular formula C19H16ClF3N2O2S and a molecular weight of 428.86 g/mol. Its IUPAC name is 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66924707
Molecular FormulaC19H16ClF3N2O2S
Molecular Weight428.86 g/mol
Exact Mass428.06
IUPAC Name1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C19H16ClF3N2O2S/c1-24-12-14-11-17(13-5-3-2-4-6-13)25(18(14)20)28(26,27)16-9-7-15(8-10-16)19(21,22)23/h2-11,24H,12H2,1H3
InChIKeyJWYNHGLTKYYINN-UHFFFAOYSA-N
XLogP4.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.86
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrole-3-carbaldehyde;1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 159938741
[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]methanol
CID 66924752
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
5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrole-3-carbaldehyde
CID 86620737
2-benzyl-1-(4-propan-2-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
CID 141293462
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
N-[[1-(2,4-dichlorophenyl)-5-phenylpyrazol-3-yl]-(methylamino)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90695541
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine (CID 66924707) is 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is JWYNHGLTKYYINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2S/c1-24-12-14-11-17(13-5-3-2-4-6-13)25(18(14)20)28(26,27)16-9-7-15(8-10-16)19(21,22)23/h2-11,24H,12H2,1H3.
What are the key properties of 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine?
1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 428.86 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66924707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).