4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene

C14H13ClO3S — CID 15591978

IUPAC4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene
SMILESCc1cc(OCS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C14H13ClO3S/c1-11-9-12(7-8-14(11)15)18-10-19(16,17)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyWAEYBMCBPCMSIL-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.46
Rot. Bonds4

About 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene

4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene (PubChem CID 15591978) has the molecular formula C14H13ClO3S and a molecular weight of 296.78 g/mol. Its IUPAC name is 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene.

Molecular Properties

Compound Name4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene
PubChem CID15591978
Molecular FormulaC14H13ClO3S
Molecular Weight296.78 g/mol
Exact Mass296.03
IUPAC Name4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene
SMILESCc1cc(OCS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C14H13ClO3S/c1-11-9-12(7-8-14(11)15)18-10-19(16,17)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChIKeyWAEYBMCBPCMSIL-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl) benzenesulfonate
CID 26948597
4-chloro-N-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113102776
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-phenylacetamide
CID 19217409
N-(benzenesulfonyl)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 19217425
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
4-(4-chloro-3-methylphenoxy)-1-phenylbutan-1-one
CID 60642749
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
(4-chloro-3-methylphenyl) 4-ethoxynaphthalene-1-sulfonate
CID 34119119
[1-[(4-chloro-3-methylphenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65003191
2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 95301732

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene?
The IUPAC name of 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene (CID 15591978) is 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene.
What is the SMILES notation for 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene?
The canonical SMILES for 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene is Cc1cc(OCS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene?
The InChIKey is WAEYBMCBPCMSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3S/c1-11-9-12(7-8-14(11)15)18-10-19(16,17)13-5-3-2-4-6-13/h2-9H,10H2,1H3.
What are the key properties of 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene?
4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene has a molecular weight of 296.78 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethoxy)-1-chloro-2-methylbenzene is sourced from PubChem (CID 15591978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).