4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline

C12H17ClN2O2S — CID 55162313

IUPAC4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2S/c1-12(2)6-3-7-15(12)18(16,17)11-8-9(13)4-5-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyWZLKHBYFINJKNL-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.49
Rot. Bonds2

About 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline

4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 55162313) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
PubChem CID55162313
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
SMILESCC1(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C12H17ClN2O2S/c1-12(2)6-3-7-15(12)18(16,17)11-8-9(13)4-5-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3
InChIKeyWZLKHBYFINJKNL-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline 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

2-chloro-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 115330070
2,5-dichloro-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylbenzoic acid
CID 63219584
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
4-chloro-2-(4-methylsulfonylpiperazin-1-yl)sulfonylaniline
CID 61126558
4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 54888361
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 55162312
1-(2,4-dibromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219170
2-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-3-methylaniline
CID 63216408
[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 63220011
4-chloro-2-(1,4-oxazepan-4-ylsulfonyl)aniline
CID 62987073
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline (CID 55162313) is 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline is CC1(C)CCCN1S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is WZLKHBYFINJKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-12(2)6-3-7-15(12)18(16,17)11-8-9(13)4-5-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3.
What are the key properties of 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline?
4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 288.80 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 55162313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).