1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine

C17H16BrN3O2S — CID 66974764

IUPAC1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-19-9-13-7-17(14-5-3-2-4-6-14)21(12-13)24(22,23)16-8-15(18)10-20-11-16/h2-8,10-12,19H,9H2,1H3
InChIKeyQLRYVDKIUROIGS-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.27
Rot. Bonds5

About 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine

1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 66974764) has the molecular formula C17H16BrN3O2S and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
PubChem CID66974764
Molecular FormulaC17H16BrN3O2S
Molecular Weight406.31 g/mol
Exact Mass405.01
IUPAC Name1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C17H16BrN3O2S/c1-19-9-13-7-17(14-5-3-2-4-6-14)21(12-13)24(22,23)16-8-15(18)10-20-11-16/h2-8,10-12,19H,9H2,1H3
InChIKeyQLRYVDKIUROIGS-UHFFFAOYSA-N
XLogP3.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560
1-[1-[3-(5-bromo-3-pyridinyl)prop-2-enylsulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 174553717
N-methyl-1-[5-(6-phenyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 154725866
N-methyl-1-[5-phenyl-1-[4-(trifluoromethylsulfonyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925275
N-methyl-1-[5-phenyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrol-3-yl]methanamine;hydrochloride
CID 66925129
N-methyl-1-[1-(3-methylsulfonylphenyl)sulfonyl-5-pyridin-3-ylpyrrol-3-yl]methanamine
CID 66925158
N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]methanesulfonamide
CID 175590529
1-[5-(2-fluorophenyl)-1-[3-(5-fluoro-3-pyridinyl)phenyl]sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 167310389
N-[5-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-3-pyridinyl]-N-methylmethanesulfonamide;hydrochloride
CID 171614405
1-[5-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 118884558
N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine
CID 66974732
1-[1-(3-chlorophenyl)sulfonyl-5-(4-fluorophenyl)pyrrol-3-yl]-N-methylmethanamine
CID 66925084

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine (CID 66974764) is 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is QLRYVDKIUROIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2S/c1-19-9-13-7-17(14-5-3-2-4-6-14)21(12-13)24(22,23)16-8-15(18)10-20-11-16/h2-8,10-12,19H,9H2,1H3.
What are the key properties of 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine?
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 406.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66974764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).