1-chlorosulfonyloxy-3-methoxybenzene

C7H7ClO4S — CID 55280544

IUPAC1-chlorosulfonyloxy-3-methoxybenzene
SMILESCOc1cccc(OS(=O)(=O)Cl)c1
InChIInChI=1S/C7H7ClO4S/c1-11-6-3-2-4-7(5-6)12-13(8,9)10/h2-5H,1H3
InChIKeyLTDDTPFURVZMBY-UHFFFAOYSA-N
MW222.65 g/mol
LogP1.56
Rot. Bonds3

About 1-chlorosulfonyloxy-3-methoxybenzene

1-chlorosulfonyloxy-3-methoxybenzene (PubChem CID 55280544) has the molecular formula C7H7ClO4S and a molecular weight of 222.65 g/mol. Its IUPAC name is 1-chlorosulfonyloxy-3-methoxybenzene.

Molecular Properties

Compound Name1-chlorosulfonyloxy-3-methoxybenzene
PubChem CID55280544
Molecular FormulaC7H7ClO4S
Molecular Weight222.65 g/mol
Exact Mass221.98
IUPAC Name1-chlorosulfonyloxy-3-methoxybenzene
SMILESCOc1cccc(OS(=O)(=O)Cl)c1
InChIInChI=1S/C7H7ClO4S/c1-11-6-3-2-4-7(5-6)12-13(8,9)10/h2-5H,1H3
InChIKeyLTDDTPFURVZMBY-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.65
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
calcium;1,3-dimethoxybenzene;hydride
CID 174808068
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
anisole;methanesulfonyl chloride
CID 162217178
fluoro-(3-methoxyphenyl)methanesulfonyl chloride
CID 84727802
1-methoxy-3-nitrobenzene;sulfuryl dichloride
CID 87396674
3-methoxybenzenesulfonamide
CID 14763060
(3-methoxyphenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate
CID 26948780

Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxy-3-methoxybenzene?
The IUPAC name of 1-chlorosulfonyloxy-3-methoxybenzene (CID 55280544) is 1-chlorosulfonyloxy-3-methoxybenzene.
What is the SMILES notation for 1-chlorosulfonyloxy-3-methoxybenzene?
The canonical SMILES for 1-chlorosulfonyloxy-3-methoxybenzene is COc1cccc(OS(=O)(=O)Cl)c1.
What is the InChIKey of 1-chlorosulfonyloxy-3-methoxybenzene?
The InChIKey is LTDDTPFURVZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4S/c1-11-6-3-2-4-7(5-6)12-13(8,9)10/h2-5H,1H3.
What are the key properties of 1-chlorosulfonyloxy-3-methoxybenzene?
1-chlorosulfonyloxy-3-methoxybenzene has a molecular weight of 222.65 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxy-3-methoxybenzene is sourced from PubChem (CID 55280544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).