oxan-2-ylmethanesulfonyl chloride

C6H11ClO3S — CID 21224521

IUPACoxan-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCCO1
InChIInChI=1S/C6H11ClO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2
InChIKeySMEXTXISKUYKPO-UHFFFAOYSA-N
MW198.67 g/mol
LogP1.12
Rot. Bonds2

About oxan-2-ylmethanesulfonyl chloride

oxan-2-ylmethanesulfonyl chloride (PubChem CID 21224521) has the molecular formula C6H11ClO3S and a molecular weight of 198.67 g/mol. Its IUPAC name is oxan-2-ylmethanesulfonyl chloride.

Molecular Properties

Compound Nameoxan-2-ylmethanesulfonyl chloride
PubChem CID21224521
Molecular FormulaC6H11ClO3S
Molecular Weight198.67 g/mol
Exact Mass198.01
IUPAC Nameoxan-2-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCCO1
InChIInChI=1S/C6H11ClO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2
InChIKeySMEXTXISKUYKPO-UHFFFAOYSA-N
XLogP1.12
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxane-4-sulfonyl chloride
CID 22637030
Oxan-2-ylmethanesulfonamide
CID 47003000
Oxane-3-sulfonyl chloride
CID 53484596
4-Methoxycyclohexane-1-sulfonyl chloride
CID 59996026
2-(Oxan-4-yloxy)ethane-1-sulfonyl chloride
CID 64198683
2-(Oxolan-2-yl)ethane-1-sulfonyl chloride
CID 65158435
3-Methoxycyclohexane-1-sulfonyl chloride
CID 84734734
rac-(1R,2S)-2-methoxycyclohexane-1-sulfonyl chloride
CID 124513068
2-(Oxan-2-yl)ethane-1-sulfonamide
CID 126970892
2-(Trifluoromethyl)oxane-4-sulfonyl chloride
CID 130512680
(6-Methyloxan-2-yl)methanesulfonyl chloride
CID 131420775
(5-Methyloxan-2-yl)methanesulfonyl chloride
CID 145915643

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethanesulfonyl chloride?
The IUPAC name of oxan-2-ylmethanesulfonyl chloride (CID 21224521) is oxan-2-ylmethanesulfonyl chloride.
What is the SMILES notation for oxan-2-ylmethanesulfonyl chloride?
The canonical SMILES for oxan-2-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1CCCCO1.
What is the InChIKey of oxan-2-ylmethanesulfonyl chloride?
The InChIKey is SMEXTXISKUYKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO3S/c7-11(8,9)5-6-3-1-2-4-10-6/h6H,1-5H2.
What are the key properties of oxan-2-ylmethanesulfonyl chloride?
oxan-2-ylmethanesulfonyl chloride has a molecular weight of 198.67 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethanesulfonyl chloride is sourced from PubChem (CID 21224521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).