1-(2,5-dichlorophenyl)sulfonylpyrrolidine

C10H11Cl2NO2S — CID 767694

IUPAC1-(2,5-dichlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C10H11Cl2NO2S/c11-8-3-4-9(12)10(7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyJVEVLWSAAUWYPE-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.78
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonylpyrrolidine

1-(2,5-dichlorophenyl)sulfonylpyrrolidine (PubChem CID 767694) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonylpyrrolidine
PubChem CID767694
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name1-(2,5-dichlorophenyl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC1
InChIInChI=1S/C10H11Cl2NO2S/c11-8-3-4-9(12)10(7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2
InChIKeyJVEVLWSAAUWYPE-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
1-[2-chloro-5-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
CID 1101755
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
1-(2-chloroethyl)-4-(2,5-dichlorophenyl)sulfonyl-1,4-diazepane
CID 63397365
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine
CID 60639529
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 6957242
1-(2,5-dichlorophenyl)sulfonyl-3-phenylazepane
CID 121146241
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 35289014
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine (CID 767694) is 1-(2,5-dichlorophenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine?
The InChIKey is JVEVLWSAAUWYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-8-3-4-9(12)10(7-8)16(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonylpyrrolidine?
1-(2,5-dichlorophenyl)sulfonylpyrrolidine has a molecular weight of 280.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonylpyrrolidine is sourced from PubChem (CID 767694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).