4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride

C15H21ClO3S — CID 82934940

IUPAC4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OC1CCCCCC1
InChIInChI=1S/C15H21ClO3S/c1-11-10-15(20(16,17)18)12(2)9-14(11)19-13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyIGEJBEKJTCMKOR-UHFFFAOYSA-N
MW316.85 g/mol
LogP4.33
Rot. Bonds3

About 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride

4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride (PubChem CID 82934940) has the molecular formula C15H21ClO3S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
PubChem CID82934940
Molecular FormulaC15H21ClO3S
Molecular Weight316.85 g/mol
Exact Mass316.09
IUPAC Name4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(C)cc1OC1CCCCCC1
InChIInChI=1S/C15H21ClO3S/c1-11-10-15(20(16,17)18)12(2)9-14(11)19-13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3
InChIKeyIGEJBEKJTCMKOR-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
2,5-dimethyl-4-(2-oxoazepan-3-yl)oxybenzenesulfonyl chloride
CID 82912754
2,5-dimethyl-4-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzenesulfonyl chloride
CID 82909723
5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
CID 82925914
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
1-cyclohexyloxy-5-ethyl-2,4-dimethylbenzene
CID 126707098
4-cyclohexyloxy-2-methyl-5-nitrobenzenesulfonamide
CID 43342380
4-(2-methoxyethoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 43134390
3-tert-butyl-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247085
N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide
CID 155323144
2,5-dimethyl-4-propoxybenzenesulfonyl chloride
CID 43134395

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride (CID 82934940) is 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(C)cc1OC1CCCCCC1.
What is the InChIKey of 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride?
The InChIKey is IGEJBEKJTCMKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO3S/c1-11-10-15(20(16,17)18)12(2)9-14(11)19-13-7-5-3-4-6-8-13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride?
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride has a molecular weight of 316.85 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 82934940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).