2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole

C13H15ClN4O3S — CID 124892345

IUPAC2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2nccn2)C1
InChIInChI=1S/C13H15ClN4O3S/c1-21-12-3-2-10(14)8-13(12)22(19,20)17-7-4-11(9-17)18-15-5-6-16-18/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1
InChIKeyQJBBMDKFQSVRIJ-LLVKDONJSA-N
MW342.81 g/mol
LogP1.58
Rot. Bonds4

About 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole

2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole (PubChem CID 124892345) has the molecular formula C13H15ClN4O3S and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
PubChem CID124892345
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.81 g/mol
Exact Mass342.06
IUPAC Name2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2nccn2)C1
InChIInChI=1S/C13H15ClN4O3S/c1-21-12-3-2-10(14)8-13(12)22(19,20)17-7-4-11(9-17)18-15-5-6-16-18/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1
InChIKeyQJBBMDKFQSVRIJ-LLVKDONJSA-N
XLogP1.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
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
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
(1S,5R)-7-(5-chloro-2-methoxyphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane
CID 155910021
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole (CID 124892345) is 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole is COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](n2nccn2)C1.
What is the InChIKey of 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The InChIKey is QJBBMDKFQSVRIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN4O3S/c1-21-12-3-2-10(14)8-13(12)22(19,20)17-7-4-11(9-17)18-15-5-6-16-18/h2-3,5-6,8,11H,4,7,9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole has a molecular weight of 342.81 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 124892345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).