1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine

C19H20FN3O3S — CID 162533199

IUPAC1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2cccnc2C)c(-c2ccccc2F)c1OC
InChIInChI=1S/C19H20FN3O3S/c1-13-17(9-6-10-22-13)27(24,25)23-12-14(11-21-2)19(26-3)18(23)15-7-4-5-8-16(15)20/h4-10,12,21H,11H2,1-3H3
InChIKeyCIDABGHQBJUDGI-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.96
Rot. Bonds6

About 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine

1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 162533199) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID162533199
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2cccnc2C)c(-c2ccccc2F)c1OC
InChIInChI=1S/C19H20FN3O3S/c1-13-17(9-6-10-22-13)27(24,25)23-12-14(11-21-2)19(26-3)18(23)15-7-4-5-8-16(15)20/h4-10,12,21H,11H2,1-3H3
InChIKeyCIDABGHQBJUDGI-UHFFFAOYSA-N
XLogP2.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]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

1-[5-(2,4-difluorophenyl)-4-methoxy-1-[(6-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 162519670
1-[5-(2,5-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 122656862
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 130454904
1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
CID 174226240
1-[5-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353587
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(3-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine
CID 67084257
6-[[2-(2-fluorophenyl)-4-(methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylamino]pyridine-3-carbonitrile
CID 154703208
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
1-[1-(3-chlorophenyl)sulfonyl-4-methoxy-5-(2,4,6-trifluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 122662115
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
1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 86624010

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine (CID 162533199) is 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2cccnc2C)c(-c2ccccc2F)c1OC.
What is the InChIKey of 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is CIDABGHQBJUDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-13-17(9-6-10-22-13)27(24,25)23-12-14(11-21-2)19(26-3)18(23)15-7-4-5-8-16(15)20/h4-10,12,21H,11H2,1-3H3.
What are the key properties of 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine?
1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 389.45 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-4-methoxy-1-[(2-methyl-3-pyridinyl)sulfonyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 162533199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).