1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole

C13H16N4O3S — CID 99877483

IUPAC1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1
InChIInChI=1S/C13H16N4O3S/c1-20-12-2-4-13(5-3-12)21(18,19)16-8-6-11(10-16)17-9-7-14-15-17/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1
InChIKeyORYBFHWUWRZRPN-LLVKDONJSA-N
MW308.36 g/mol
LogP0.92
Rot. Bonds4

About 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole

1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole (PubChem CID 99877483) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
PubChem CID99877483
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1
InChIInChI=1S/C13H16N4O3S/c1-20-12-2-4-13(5-3-12)21(18,19)16-8-6-11(10-16)17-9-7-14-15-17/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1
InChIKeyORYBFHWUWRZRPN-LLVKDONJSA-N
XLogP0.92
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092
1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151428
1-[(3S)-1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 99987995
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]triazole
CID 121154938
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole
CID 121154969
5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003
6-[3-(triazol-1-yl)pyrrolidin-1-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 121151121
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
N-(3,4-dichloro-1H-indol-7-yl)-4-[3-(triazol-1-yl)pyrrolidin-1-yl]sulfonylbenzenesulfonamide
CID 164863913
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The IUPAC name of 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole (CID 99877483) is 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole.
What is the SMILES notation for 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The canonical SMILES for 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole is COc1ccc(S(=O)(=O)N2CC[C@@H](n3ccnn3)C2)cc1.
What is the InChIKey of 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
The InChIKey is ORYBFHWUWRZRPN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-20-12-2-4-13(5-3-12)21(18,19)16-8-6-11(10-16)17-9-7-14-15-17/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole?
1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole has a molecular weight of 308.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole is sourced from PubChem (CID 99877483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).