(2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone

C25H24N2O4S — CID 126609299

IUPAC(2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)n2ccc(-n3cccc3CO)c2C(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C25H24N2O4S/c1-17-6-9-21(10-7-17)32(30,31)27-14-12-23(26-13-4-5-20(26)16-28)24(27)25(29)22-11-8-18(2)15-19(22)3/h4-15,28H,16H2,1-3H3
InChIKeyWFLNAJPRYVCCDH-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.16
Rot. Bonds6

About (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone

(2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone (PubChem CID 126609299) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone
PubChem CID126609299
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name(2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone
SMILESCc1ccc(S(=O)(=O)n2ccc(-n3cccc3CO)c2C(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C25H24N2O4S/c1-17-6-9-21(10-7-17)32(30,31)27-14-12-23(26-13-4-5-20(26)16-28)24(27)25(29)22-11-8-18(2)15-19(22)3/h4-15,28H,16H2,1-3H3
InChIKeyWFLNAJPRYVCCDH-UHFFFAOYSA-N
XLogP4.16
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-(2-methoxy-4-phenylmethoxyphenyl)methanone
CID 118589573
1-[2-(4-butoxy-2-methoxybenzoyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyrrole-2-carbaldehyde
CID 118596099
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]acetaldehyde
CID 89416848
(2,4-dimethylphenyl)-(1-methylpyrrol-2-yl)methanone
CID 140996356
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]sulfanylacetic acid
CID 13167607
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
[4-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]methanol
CID 23082148
1-[1-(4-methylphenyl)sulfonylindol-6-yl]ethanone
CID 12925074
1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole
CID 71562201

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone (CID 126609299) is (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone is Cc1ccc(S(=O)(=O)n2ccc(-n3cccc3CO)c2C(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
The InChIKey is WFLNAJPRYVCCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-17-6-9-21(10-7-17)32(30,31)27-14-12-23(26-13-4-5-20(26)16-28)24(27)25(29)22-11-8-18(2)15-19(22)3/h4-15,28H,16H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone?
(2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone has a molecular weight of 448.54 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[3-[2-(hydroxymethyl)pyrrol-1-yl]-1-(4-methylphenyl)sulfonylpyrrol-2-yl]methanone is sourced from PubChem (CID 126609299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).