(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate

C15H13ClNO4S- — CID 7201386

IUPAC(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C15H14ClNO4S/c16-11-6-1-4-10-5-2-8-13(14(10)11)22(20,21)17-9-3-7-12(17)15(18)19/h1-2,4-6,8,12H,3,7,9H2,(H,18,19)/p-1/t12-/m1/s1
InChIKeyKEQKJKJZWCBCFD-GFCCVEGCSA-M
MW338.79 g/mol
LogP1.40
Rot. Bonds3

About (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate

(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 7201386) has the molecular formula C15H13ClNO4S- and a molecular weight of 338.79 g/mol. Its IUPAC name is (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID7201386
Molecular FormulaC15H13ClNO4S-
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12
InChIInChI=1S/C15H14ClNO4S/c16-11-6-1-4-10-5-2-8-13(14(10)11)22(20,21)17-9-3-7-12(17)15(18)19/h1-2,4-6,8,12H,3,7,9H2,(H,18,19)/p-1/t12-/m1/s1
InChIKeyKEQKJKJZWCBCFD-GFCCVEGCSA-M
XLogP1.40
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(5-carboxylato-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2327746
(2R)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 2384446
(2R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6921969
(2R)-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpyrrolidine-2-carboxylate
CID 6921745
1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxylic acid
CID 14315681
(2S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 7063076
1-(4-carboxylatophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3622357
[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 129367282
4-benzyl-1-(8-chloronaphthalen-1-yl)sulfonylpiperidine
CID 4585245
[1-(4-chloroisoquinolin-5-yl)sulfonylpiperidin-2-yl]methanamine
CID 67243949

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate (CID 7201386) is (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate is O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c12.
What is the InChIKey of (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is KEQKJKJZWCBCFD-GFCCVEGCSA-M. The full InChI is InChI=1S/C15H14ClNO4S/c16-11-6-1-4-10-5-2-8-13(14(10)11)22(20,21)17-9-3-7-12(17)15(18)19/h1-2,4-6,8,12H,3,7,9H2,(H,18,19)/p-1/t12-/m1/s1.
What are the key properties of (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate?
(2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 338.79 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 7201386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).