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

C16H15FN2O3S — CID 178063649

IUPAC1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccco2)c1
InChIInChI=1S/C16H15FN2O3S/c1-18-10-12-9-15(13-5-2-3-6-14(13)17)19(11-12)23(20,21)16-7-4-8-22-16/h2-9,11,18H,10H2,1H3
InChIKeyQAIMVODMPYZBNL-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.84
Rot. Bonds5

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

1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine (PubChem CID 178063649) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
PubChem CID178063649
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccco2)c1
InChIInChI=1S/C16H15FN2O3S/c1-18-10-12-9-15(13-5-2-3-6-14(13)17)19(11-12)23(20,21)16-7-4-8-22-16/h2-9,11,18H,10H2,1H3
InChIKeyQAIMVODMPYZBNL-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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Related Compounds

1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 25007648
1-[5-(2-fluoro-3-pyridinyl)-1-(3-methoxyphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 67083994
1-[5-(2-fluoro-3-pyridinyl)-1-(furan-3-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084120
1-[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084182
1-[5-(2-fluoro-3-pyridinyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine
CID 67084186
Keverprazan
CID 132164139
N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
CID 124620906
N-ethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-sulfonamide
CID 124743837
2-Methyl-5-[1-(5-methylfuran-2-yl)sulfonylpiperidin-4-yl]pyridine
CID 132358582
4-[5-(4-Fluorophenyl)-3-(furan-2-ylsulfonyl)triazol-4-yl]pyridine
CID 10133729
4-(4-Fluorophenyl)-2-(furan-2-ylsulfonyl)-3-pyridin-4-yl-1,2-oxazol-5-one
CID 10200144
1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
CID 24743633

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine (CID 178063649) is 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccco2)c1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is QAIMVODMPYZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-18-10-12-9-15(13-5-2-3-6-14(13)17)19(11-12)23(20,21)16-7-4-8-22-16/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine?
1-[5-(2-fluorophenyl)-1-(furan-2-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-2-ylsulfonyl)pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 178063649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).