1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine

C16H15FN2O3S — CID 178063648

IUPAC1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccoc2)c1
InChIInChI=1S/C16H15FN2O3S/c1-18-9-12-8-16(14-4-2-3-5-15(14)17)19(10-12)23(20,21)13-6-7-22-11-13/h2-8,10-11,18H,9H2,1H3
InChIKeySOJXHZKFNCKNRQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.84
Rot. Bonds5

About 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine

1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 178063648) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID178063648
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccoc2)c1
InChIInChI=1S/C16H15FN2O3S/c1-18-9-12-8-16(14-4-2-3-5-15(14)17)19(10-12)23(20,21)13-6-7-22-11-13/h2-8,10-11,18H,9H2,1H3
InChIKeySOJXHZKFNCKNRQ-UHFFFAOYSA-N
XLogP2.84
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine (CID 178063648) is 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccoc2)c1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is SOJXHZKFNCKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-18-9-12-8-16(14-4-2-3-5-15(14)17)19(10-12)23(20,21)13-6-7-22-11-13/h2-8,10-11,18H,9H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 334.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 178063648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).