4-cycloheptyloxy-3-methylbenzenesulfonyl chloride

C14H19ClO3S — CID 82935748

IUPAC4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OC1CCCCCC1
InChIInChI=1S/C14H19ClO3S/c1-11-10-13(19(15,16)17)8-9-14(11)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyBCUIXNUDWAABER-UHFFFAOYSA-N
MW302.82 g/mol
LogP4.02
Rot. Bonds3

About 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride

4-cycloheptyloxy-3-methylbenzenesulfonyl chloride (PubChem CID 82935748) has the molecular formula C14H19ClO3S and a molecular weight of 302.82 g/mol. Its IUPAC name is 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
PubChem CID82935748
Molecular FormulaC14H19ClO3S
Molecular Weight302.82 g/mol
Exact Mass302.07
IUPAC Name4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)ccc1OC1CCCCCC1
InChIInChI=1S/C14H19ClO3S/c1-11-10-13(19(15,16)17)8-9-14(11)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyBCUIXNUDWAABER-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247085
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63863945
N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide
CID 155323144
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
CID 82934940
3-methyl-4-(2-oxoazepan-3-yl)oxybenzenesulfonyl chloride
CID 82916398
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
CID 82925914
3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride
CID 165461386
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030
3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612
3-bromo-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63937031
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride (CID 82935748) is 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)ccc1OC1CCCCCC1.
What is the InChIKey of 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride?
The InChIKey is BCUIXNUDWAABER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3S/c1-11-10-13(19(15,16)17)8-9-14(11)18-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride?
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride has a molecular weight of 302.82 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82935748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).