2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride

C8H11Cl2N3O2S — CID 71640189

IUPAC2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
SMILESCl.O=S(=O)(c1ccnc(Cl)n1)[C@@H]1CCNC1
InChIInChI=1S/C8H10ClN3O2S.ClH/c9-8-11-4-2-7(12-8)15(13,14)6-1-3-10-5-6;/h2,4,6,10H,1,3,5H2;1H/t6-;/m1./s1
InChIKeyDNYULFJXSKSTBU-FYZOBXCZSA-N
MW284.17 g/mol
LogP0.69
Rot. Bonds2

About 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride

2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride (PubChem CID 71640189) has the molecular formula C8H11Cl2N3O2S and a molecular weight of 284.17 g/mol. Its IUPAC name is 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
PubChem CID71640189
Molecular FormulaC8H11Cl2N3O2S
Molecular Weight284.17 g/mol
Exact Mass282.99
IUPAC Name2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
SMILESCl.O=S(=O)(c1ccnc(Cl)n1)[C@@H]1CCNC1
InChIInChI=1S/C8H10ClN3O2S.ClH/c9-8-11-4-2-7(12-8)15(13,14)6-1-3-10-5-6;/h2,4,6,10H,1,3,5H2;1H/t6-;/m1./s1
InChIKeyDNYULFJXSKSTBU-FYZOBXCZSA-N
XLogP0.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-piperidin-3-ylsulfonylpyrimidine
CID 71640194
2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride
CID 71645544
2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71636402
4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
(3S)-3-(2-chlorophenyl)sulfonylpyrrolidine
CID 67495805
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
3-chloro-6-[(3R)-piperidin-3-yl]sulfonylpyridazine
CID 97163638
2-[(3S)-piperidin-3-yl]sulfonylpyridine-4-carbonitrile
CID 97165864
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314
2-bromo-6-[(3S)-piperidin-3-yl]sulfonylpyridine
CID 97178191
3-(2,4-dichlorophenyl)sulfonylpyrrolidine
CID 118797295
5-chloro-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71640088

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
The IUPAC name of 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride (CID 71640189) is 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride.
What is the SMILES notation for 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
The canonical SMILES for 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride is Cl.O=S(=O)(c1ccnc(Cl)n1)[C@@H]1CCNC1.
What is the InChIKey of 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
The InChIKey is DNYULFJXSKSTBU-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10ClN3O2S.ClH/c9-8-11-4-2-7(12-8)15(13,14)6-1-3-10-5-6;/h2,4,6,10H,1,3,5H2;1H/t6-;/m1./s1.
What are the key properties of 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride?
2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride has a molecular weight of 284.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride is sourced from PubChem (CID 71640189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).