[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate

C11H13ClO4S — CID 40895496

IUPAC[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
SMILESO=S(=O)(OC[C@H]1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO4S/c12-9-3-5-11(6-4-9)17(13,14)16-8-10-2-1-7-15-10/h3-6,10H,1-2,7-8H2/t10-/m1/s1
InChIKeySVZUCPOTYAPYJP-SNVBAGLBSA-N
MW276.74 g/mol
LogP2.22
Rot. Bonds4

About [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate

[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate (PubChem CID 40895496) has the molecular formula C11H13ClO4S and a molecular weight of 276.74 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
PubChem CID40895496
Molecular FormulaC11H13ClO4S
Molecular Weight276.74 g/mol
Exact Mass276.02
IUPAC Name[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate
SMILESO=S(=O)(OC[C@H]1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO4S/c12-9-3-5-11(6-4-9)17(13,14)16-8-10-2-1-7-15-10/h3-6,10H,1-2,7-8H2/t10-/m1/s1
InChIKeySVZUCPOTYAPYJP-SNVBAGLBSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl 4-nitrobenzenesulfonate
CID 2827480
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-(4-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884607
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
2,3-dichloro-4-(oxolan-2-ylmethoxy)benzenesulfonamide
CID 43342542
1-(4-chlorophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497088
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
oxolan-2-ylmethyl (2S)-2-(4-bromophenyl)sulfonyloxypropanoate
CID 88611403
[(2S)-oxolan-2-yl]methyl 2-(2,5-dichlorophenyl)sulfonyloxypropanoate
CID 88611367
[(2R)-oxan-2-yl]methyl methanesulfonate
CID 86621777
[(2R)-oxiran-2-yl]methyl benzenesulfonate
CID 14419639

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate (CID 40895496) is [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate is O=S(=O)(OC[C@H]1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate?
The InChIKey is SVZUCPOTYAPYJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13ClO4S/c12-9-3-5-11(6-4-9)17(13,14)16-8-10-2-1-7-15-10/h3-6,10H,1-2,7-8H2/t10-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate?
[(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate has a molecular weight of 276.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 4-chlorobenzenesulfonate is sourced from PubChem (CID 40895496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).