4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole

C19H19NO3S — CID 70688086

IUPAC4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
SMILESCOCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H19NO3S/c1-15-8-10-18(11-9-15)24(21,22)20-13-16(14-23-2)12-19(20)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyDSTCQYIRHICIAC-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.85
Rot. Bonds5

About 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole

4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole (PubChem CID 70688086) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole.

Molecular Properties

Compound Name4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
PubChem CID70688086
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole
SMILESCOCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C19H19NO3S/c1-15-8-10-18(11-9-15)24(21,22)20-13-16(14-23-2)12-19(20)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyDSTCQYIRHICIAC-UHFFFAOYSA-N
XLogP3.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chloro-3-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methyl-triphenylphosphanium
CID 73294284
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-[(5-methyl-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]methanamine;dihydrochloride
CID 66974560
6-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole
CID 138983532
2-iodo-4-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrole
CID 141137039
1,1,1-trideuterio-N-[[5-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpyrrol-3-yl]methyl]methanamine
CID 164883775
3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylpyrrole
CID 102126932
1-[1-[(5-bromo-3-pyridinyl)sulfonyl]-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66974764
2-(2-hydroxyethyl)-1-(4-methylphenyl)sulfonyl-5-phenylpyrazol-3-one
CID 11132085
(4-phenylphenyl)methyl 4-methylbenzenesulfonate
CID 102437017
[1-(3-chlorophenyl)sulfonyl-5-phenylpyrrol-3-yl]methyl-methylcarbamic acid
CID 66924786

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole?
The IUPAC name of 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole (CID 70688086) is 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole.
What is the SMILES notation for 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole?
The canonical SMILES for 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole is COCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole?
The InChIKey is DSTCQYIRHICIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-15-8-10-18(11-9-15)24(21,22)20-13-16(14-23-2)12-19(20)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole?
4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole has a molecular weight of 341.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrole is sourced from PubChem (CID 70688086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).