[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol

C9H12ClN3O3S — CID 61409927

IUPAC[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cnc(Cl)nc1)N1CCCC1CO
InChIInChI=1S/C9H12ClN3O3S/c10-9-11-4-8(5-12-9)17(15,16)13-3-1-2-7(13)6-14/h4-5,7,14H,1-3,6H2
InChIKeyOWODNKQBJOMXSC-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.28
Rot. Bonds3

About [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol

[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 61409927) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID61409927
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cnc(Cl)nc1)N1CCCC1CO
InChIInChI=1S/C9H12ClN3O3S/c10-9-11-4-8(5-12-9)17(15,16)13-3-1-2-7(13)6-14/h4-5,7,14H,1-3,6H2
InChIKeyOWODNKQBJOMXSC-UHFFFAOYSA-N
XLogP0.28
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
2-chloro-5-(2-methylpyrrolidin-1-yl)sulfonylpyrimidine
CID 60974393
5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 103833912
[(2S)-1-[(5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 66260969
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[1-[[6-(propylamino)-3-pyridinyl]sulfonyl]pyrrolidin-2-yl]methanol
CID 62156705
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 114613814
[(2S)-1-(2,5-dichlorothiophen-3-yl)sulfonylpyrrolidin-2-yl]methanol
CID 66261155
[1-[(6-nitro-3-pyridinyl)sulfonyl]azepan-2-yl]methanol
CID 116636739
2-chloro-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215234
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol (CID 61409927) is [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cnc(Cl)nc1)N1CCCC1CO.
What is the InChIKey of [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is OWODNKQBJOMXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c10-9-11-4-8(5-12-9)17(15,16)13-3-1-2-7(13)6-14/h4-5,7,14H,1-3,6H2.
What are the key properties of [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol?
[1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 277.73 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloropyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 61409927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).