5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride

C15H20ClNO3S — CID 79179610

IUPAC5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride
SMILESCCc1ccc(C(=O)N2CC(C)C(C)C2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H20ClNO3S/c1-4-12-5-6-13(7-14(12)21(16,19)20)15(18)17-8-10(2)11(3)9-17/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeySMISGGWFZOZOML-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.90
Rot. Bonds3

About 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride

5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride (PubChem CID 79179610) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride
PubChem CID79179610
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride
SMILESCCc1ccc(C(=O)N2CC(C)C(C)C2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H20ClNO3S/c1-4-12-5-6-13(7-14(12)21(16,19)20)15(18)17-8-10(2)11(3)9-17/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeySMISGGWFZOZOML-UHFFFAOYSA-N
XLogP2.90
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride 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-5-(3,4-dimethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 79187613
2-ethyl-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370060
3-bromo-5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 81479645
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
5-(4-ethylpiperidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65371176
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
2-ethyl-5-(4-methoxybutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65397858
8-azaspiro[4.5]decan-8-yl-(4-ethyl-3-methylsulfonylphenyl)methanone
CID 146124156
(4-amino-3-bromophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79181385
2-ethyl-5-[ethyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372640
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride?
The IUPAC name of 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride (CID 79179610) is 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride?
The canonical SMILES for 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride is CCc1ccc(C(=O)N2CC(C)C(C)C2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride?
The InChIKey is SMISGGWFZOZOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-4-12-5-6-13(7-14(12)21(16,19)20)15(18)17-8-10(2)11(3)9-17/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride?
5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidine-1-carbonyl)-2-ethylbenzenesulfonyl chloride is sourced from PubChem (CID 79179610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).