1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine

C18H17F2N3O2S — CID 67084101

IUPAC1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H17F2N3O2S/c1-12-5-6-14(9-16(12)19)26(24,25)23-11-13(10-21-2)8-17(23)15-4-3-7-22-18(15)20/h3-9,11,21H,10H2,1-2H3
InChIKeyMPYULXRAXWFWJT-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.09
Rot. Bonds5

About 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine

1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 67084101) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID67084101
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C18H17F2N3O2S/c1-12-5-6-14(9-16(12)19)26(24,25)23-11-13(10-21-2)8-17(23)15-4-3-7-22-18(15)20/h3-9,11,21H,10H2,1-2H3
InChIKeyMPYULXRAXWFWJT-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine 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

(E)-but-2-enedioic acid;1-[5-(2-fluoro-3-pyridinyl)-1-(3-methylsulfonylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67398175
(E)-but-2-enedioic acid;1-[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67397796
1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(1H-indol-5-yl)pyrrol-3-yl]-N-methylmethanamine
CID 118884486
3-[3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenoxy]-N-methylpropan-1-amine
CID 134166389
[1-(3,4-difluorophenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]methyl-(2,2-dimethylpropyl)carbamic acid
CID 67398057
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096
1-[5-(2-fluorophenyl)-1-(1-oxidopyridin-1-ium-3-yl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 163197631
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
N-[3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenyl]-N-methylmethanesulfonamide
CID 175590494
[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]methyl N-methylcarbamate
CID 140530795
5-chloro-3-fluoro-2-methylpyridine;1-[4-fluoro-1-[(5-fluoro-6-methyl-3-pyridinyl)sulfonyl]-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 67178858

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine (CID 67084101) is 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2cccnc2F)n(S(=O)(=O)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is MPYULXRAXWFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c1-12-5-6-14(9-16(12)19)26(24,25)23-11-13(10-21-2)8-17(23)15-4-3-7-22-18(15)20/h3-9,11,21H,10H2,1-2H3.
What are the key properties of 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine?
1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 377.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoro-4-methylphenyl)sulfonyl-5-(2-fluoro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 67084101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).