1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine

C11H14ClNO4S2 — CID 35289014

IUPAC1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H14ClNO4S2/c1-18(14,15)9-4-5-10(12)11(8-9)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyREGJPIOFWWGHRX-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.53
Rot. Bonds3

About 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine

1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine (PubChem CID 35289014) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
PubChem CID35289014
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C11H14ClNO4S2/c1-18(14,15)9-4-5-10(12)11(8-9)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChIKeyREGJPIOFWWGHRX-UHFFFAOYSA-N
XLogP1.53
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-5-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylphenyl]sulfonylpyrrolidine
CID 1101755
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-4-methylpiperidine
CID 35295703
1-[4-(2-chloro-5-methylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56513769
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-3-methylpiperazine
CID 65449750
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2-[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]-N-ethylacetamide
CID 30872696
2-chloro-5-methylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)benzamide
CID 55817625
1-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidine
CID 646959
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-2-(3,5-dimethylphenyl)pyrrolidine
CID 86952181
1-(2,5-dichlorophenyl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684894
8-[[4-(2-chloro-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methyl]quinoline
CID 55598876

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine (CID 35289014) is 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine is CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
The InChIKey is REGJPIOFWWGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c1-18(14,15)9-4-5-10(12)11(8-9)19(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine?
1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine has a molecular weight of 323.82 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylsulfonylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 35289014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).