3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole

C12H12ClNO2S — CID 175460039

IUPAC3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2ccc(Cl)c2)c(C)c1
InChIInChI=1S/C12H12ClNO2S/c1-9-3-4-12(10(2)7-9)17(15,16)14-6-5-11(13)8-14/h3-8H,1-2H3
InChIKeyDUWCRVPXSSCEPE-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.00
Rot. Bonds2

About 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole

3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole (PubChem CID 175460039) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole.

Molecular Properties

Compound Name3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole
PubChem CID175460039
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole
SMILESCc1ccc(S(=O)(=O)n2ccc(Cl)c2)c(C)c1
InChIInChI=1S/C12H12ClNO2S/c1-9-3-4-12(10(2)7-9)17(15,16)14-6-5-11(13)8-14/h3-8H,1-2H3
InChIKeyDUWCRVPXSSCEPE-UHFFFAOYSA-N
XLogP3.00
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole 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

1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
CID 22771646
2-[1-(2,4-dimethylphenyl)sulfonylpyrrol-3-yl]-4-(methylsulfonylmethyl)aniline
CID 175018446
1-(2,5-dimethylphenyl)sulfonylpyrrole
CID 22200809
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811
1-(2,4-dimethylphenyl)sulfonyl-2-ethylpyrrole
CID 71562201
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721448
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
CID 71564627
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole?
The IUPAC name of 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole (CID 175460039) is 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole.
What is the SMILES notation for 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole?
The canonical SMILES for 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole is Cc1ccc(S(=O)(=O)n2ccc(Cl)c2)c(C)c1.
What is the InChIKey of 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole?
The InChIKey is DUWCRVPXSSCEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-9-3-4-12(10(2)7-9)17(15,16)14-6-5-11(13)8-14/h3-8H,1-2H3.
What are the key properties of 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole?
3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole has a molecular weight of 269.75 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,4-dimethylphenyl)sulfonylpyrrole is sourced from PubChem (CID 175460039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).