5-chloro-2-cycloheptyloxybenzenesulfonyl chloride

C13H16Cl2O3S — CID 82925914

IUPAC5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OC1CCCCCC1
InChIInChI=1S/C13H16Cl2O3S/c14-10-7-8-12(13(9-10)19(15,16)17)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2
InChIKeyRYUXXJWVCBCDHT-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.37
Rot. Bonds3

About 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride

5-chloro-2-cycloheptyloxybenzenesulfonyl chloride (PubChem CID 82925914) has the molecular formula C13H16Cl2O3S and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
PubChem CID82925914
Molecular FormulaC13H16Cl2O3S
Molecular Weight323.24 g/mol
Exact Mass322.02
IUPAC Name5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OC1CCCCCC1
InChIInChI=1S/C13H16Cl2O3S/c14-10-7-8-12(13(9-10)19(15,16)17)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2
InChIKeyRYUXXJWVCBCDHT-UHFFFAOYSA-N
XLogP4.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
CID 114619989
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
CID 82934940
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
3-tert-butyl-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247085
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
cyclohexyl 2,5-dichlorobenzenesulfonate
CID 87077276
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride (CID 82925914) is 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OC1CCCCCC1.
What is the InChIKey of 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride?
The InChIKey is RYUXXJWVCBCDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3S/c14-10-7-8-12(13(9-10)19(15,16)17)18-11-5-3-1-2-4-6-11/h7-9,11H,1-6H2.
What are the key properties of 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride?
5-chloro-2-cycloheptyloxybenzenesulfonyl chloride has a molecular weight of 323.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cycloheptyloxybenzenesulfonyl chloride is sourced from PubChem (CID 82925914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).