1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole

C18H15BrFNO3S — CID 175421692

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole
SMILESCOc1ccc(Br)cc1S(=O)(=O)n1cc(C)cc1-c1ccccc1F
InChIInChI=1S/C18H15BrFNO3S/c1-12-9-16(14-5-3-4-6-15(14)20)21(11-12)25(22,23)18-10-13(19)7-8-17(18)24-2/h3-11H,1-2H3
InChIKeyUHOXIGMEQSQHDG-UHFFFAOYSA-N
MW424.29 g/mol
LogP4.61
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole

1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole (PubChem CID 175421692) has the molecular formula C18H15BrFNO3S and a molecular weight of 424.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole
PubChem CID175421692
Molecular FormulaC18H15BrFNO3S
Molecular Weight424.29 g/mol
Exact Mass422.99
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole
SMILESCOc1ccc(Br)cc1S(=O)(=O)n1cc(C)cc1-c1ccccc1F
InChIInChI=1S/C18H15BrFNO3S/c1-12-9-16(14-5-3-4-6-15(14)20)21(11-12)25(22,23)18-10-13(19)7-8-17(18)24-2/h3-11H,1-2H3
InChIKeyUHOXIGMEQSQHDG-UHFFFAOYSA-N
XLogP4.61
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylquinoline
CID 175158528
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-methylimidazole
CID 775774
2-(2-fluorophenyl)-1-[3-(3-methoxypropoxy)phenyl]sulfonyl-4-methylpyrrole
CID 175482042
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
3-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-5-methylsulfonylpyridine
CID 175421654
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
4-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-3,5-dimethyl-1,2-oxazole
CID 175421676
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
5-bromo-2-methoxy-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121149779

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole (CID 175421692) is 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole is COc1ccc(Br)cc1S(=O)(=O)n1cc(C)cc1-c1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole?
The InChIKey is UHOXIGMEQSQHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFNO3S/c1-12-9-16(14-5-3-4-6-15(14)20)21(11-12)25(22,23)18-10-13(19)7-8-17(18)24-2/h3-11H,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole?
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole has a molecular weight of 424.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonyl-2-(2-fluorophenyl)-4-methylpyrrole is sourced from PubChem (CID 175421692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).