1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine

C18H15FN2O3S — CID 177315081

IUPAC1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2cccc(F)c2)c2c1oc1ccccc12
InChIInChI=1S/C18H15FN2O3S/c1-20-10-12-11-21(25(22,23)14-6-4-5-13(19)9-14)17-15-7-2-3-8-16(15)24-18(12)17/h2-9,11,20H,10H2,1H3
InChIKeyPPKOXEHHURTSFS-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.48
Rot. Bonds4

About 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine

1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 177315081) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine
PubChem CID177315081
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cn(S(=O)(=O)c2cccc(F)c2)c2c1oc1ccccc12
InChIInChI=1S/C18H15FN2O3S/c1-20-10-12-11-21(25(22,23)14-6-4-5-13(19)9-14)17-15-7-2-3-8-16(15)24-18(12)17/h2-9,11,20H,10H2,1H3
InChIKeyPPKOXEHHURTSFS-UHFFFAOYSA-N
XLogP3.48
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 130454904
1-[5-(2,5-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 122656862
1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 86624010
1-[1-(3-chlorophenyl)sulfonyl-4-methoxy-5-(2,4,6-trifluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 122662115
N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
CID 66924782
1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 66925084
1-[1-[3-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]sulfonyl-5-(2-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 167310347
1-[5-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353587
3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonylphenol
CID 90168780
1-[5-(2,4-difluorophenyl)-1-(4-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine
CID 174226240

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine (CID 177315081) is 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine is CNCc1cn(S(=O)(=O)c2cccc(F)c2)c2c1oc1ccccc12.
What is the InChIKey of 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is PPKOXEHHURTSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-20-10-12-11-21(25(22,23)14-6-4-5-13(19)9-14)17-15-7-2-3-8-16(15)24-18(12)17/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine?
1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 358.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 177315081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).