(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine

C20H22ClNO2S — CID 51856369

IUPAC(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C20H22ClNO2S/c21-19-9-4-3-8-18(19)20-10-5-13-22(20)25(23,24)17-12-11-15-6-1-2-7-16(15)14-17/h3-4,8-9,11-12,14,20H,1-2,5-7,10,13H2/t20-/m0/s1
InChIKeyKTICXOWWLBVSFK-FQEVSTJZSA-N
MW375.92 g/mol
LogP4.74
Rot. Bonds3

About (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine

(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine (PubChem CID 51856369) has the molecular formula C20H22ClNO2S and a molecular weight of 375.92 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
PubChem CID51856369
Molecular FormulaC20H22ClNO2S
Molecular Weight375.92 g/mol
Exact Mass375.11
IUPAC Name(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
SMILESO=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1Cl
InChIInChI=1S/C20H22ClNO2S/c21-19-9-4-3-8-18(19)20-10-5-13-22(20)25(23,24)17-12-11-15-6-1-2-7-16(15)14-17/h3-4,8-9,11-12,14,20H,1-2,5-7,10,13H2/t20-/m0/s1
InChIKeyKTICXOWWLBVSFK-FQEVSTJZSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
1-(benzenesulfonyl)-2-(2-chlorophenyl)azepane
CID 53096134
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
(2R)-2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 51855630
2-(3-fluorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 53096212
(2S)-2-(5-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)azepane
CID 92502904
1-(2-chlorophenyl)sulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 26945246
(2S)-2-(2-chlorophenyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 51855932
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-(4-methoxyphenyl)pyrrolidine
CID 134017312
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
CID 110636873
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
The IUPAC name of (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine (CID 51856369) is (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine is O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
The InChIKey is KTICXOWWLBVSFK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22ClNO2S/c21-19-9-4-3-8-18(19)20-10-5-13-22(20)25(23,24)17-12-11-15-6-1-2-7-16(15)14-17/h3-4,8-9,11-12,14,20H,1-2,5-7,10,13H2/t20-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine?
(2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine has a molecular weight of 375.92 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine is sourced from PubChem (CID 51856369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).