2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride

C13H14Cl3NO3S — CID 65371925

IUPAC2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESCCC1CCCN1C(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H14Cl3NO3S/c1-2-9-4-3-5-17(9)13(18)8-6-10(14)12(15)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3
InChIKeyUSSBXPQOLIUJDD-UHFFFAOYSA-N
MW370.69 g/mol
LogP3.94
Rot. Bonds3

About 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride

2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65371925) has the molecular formula C13H14Cl3NO3S and a molecular weight of 370.69 g/mol. Its IUPAC name is 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65371925
Molecular FormulaC13H14Cl3NO3S
Molecular Weight370.69 g/mol
Exact Mass368.98
IUPAC Name2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESCCC1CCCN1C(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H14Cl3NO3S/c1-2-9-4-3-5-17(9)13(18)8-6-10(14)12(15)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3
InChIKeyUSSBXPQOLIUJDD-UHFFFAOYSA-N
XLogP3.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.69
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
4-chloro-3-(2-ethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonyl chloride
CID 81454897
5-bromo-3-(2-ethylpyrrolidine-1-carbonyl)-2-methylbenzenesulfonyl chloride
CID 65372117
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
(3,5-dichloro-4-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030156
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
5-(2-ethylazepane-1-carbonyl)-2-methylfuran-3-sulfonyl chloride
CID 104692762

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 65371925) is 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride is CCC1CCCN1C(=O)c1cc(Cl)c(Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is USSBXPQOLIUJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3NO3S/c1-2-9-4-3-5-17(9)13(18)8-6-10(14)12(15)11(7-8)21(16,19)20/h6-7,9H,2-5H2,1H3.
What are the key properties of 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 370.69 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65371925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).