(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine

C15H22ClNO5S2 — CID 97427292

IUPAC(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C15H22ClNO5S2/c1-15(2,3)23(18,19)12-7-8-17(10-12)24(20,21)14-9-11(16)5-6-13(14)22-4/h5-6,9,12H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKeyZCTOVZWQOYSDCD-GFCCVEGCSA-N
MW395.93 g/mol
LogP2.32
Rot. Bonds4

About (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine

(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine (PubChem CID 97427292) has the molecular formula C15H22ClNO5S2 and a molecular weight of 395.93 g/mol. Its IUPAC name is (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
PubChem CID97427292
Molecular FormulaC15H22ClNO5S2
Molecular Weight395.93 g/mol
Exact Mass395.06
IUPAC Name(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C15H22ClNO5S2/c1-15(2,3)23(18,19)12-7-8-17(10-12)24(20,21)14-9-11(16)5-6-13(14)22-4/h5-6,9,12H,7-8,10H2,1-4H3/t12-/m1/s1
InChIKeyZCTOVZWQOYSDCD-GFCCVEGCSA-N
XLogP2.32
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892345
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-(4-methoxyphenyl)sulfonylazetidine
CID 72718927
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
1-(5-chloro-2-methoxyphenyl)sulfonyl-3-phenylazepane
CID 121146270
[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 6458860

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine (CID 97427292) is (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine is COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](S(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine?
The InChIKey is ZCTOVZWQOYSDCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClNO5S2/c1-15(2,3)23(18,19)12-7-8-17(10-12)24(20,21)14-9-11(16)5-6-13(14)22-4/h5-6,9,12H,7-8,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine?
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine has a molecular weight of 395.93 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 97427292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).