5-methyl-2-phenylmethoxybenzenesulfonyl chloride

C14H13ClO3S — CID 18069984

IUPAC5-methyl-2-phenylmethoxybenzenesulfonyl chloride
SMILESCc1ccc(OCc2ccccc2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H13ClO3S/c1-11-7-8-13(14(9-11)19(15,16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyFIBRFUDCLUQTEQ-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.50
Rot. Bonds4

About 5-methyl-2-phenylmethoxybenzenesulfonyl chloride

5-methyl-2-phenylmethoxybenzenesulfonyl chloride (PubChem CID 18069984) has the molecular formula C14H13ClO3S and a molecular weight of 296.77 g/mol. Its IUPAC name is 5-methyl-2-phenylmethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-methyl-2-phenylmethoxybenzenesulfonyl chloride
PubChem CID18069984
Molecular FormulaC14H13ClO3S
Molecular Weight296.77 g/mol
Exact Mass296.03
IUPAC Name5-methyl-2-phenylmethoxybenzenesulfonyl chloride
SMILESCc1ccc(OCc2ccccc2)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H13ClO3S/c1-11-7-8-13(14(9-11)19(15,16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyFIBRFUDCLUQTEQ-UHFFFAOYSA-N
XLogP3.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)benzene-1-sulfonamide
CID 19374444
Disodium oxybis(hexadecylbenzenesulfonate)
CID 73556608
7-(4-Benzyloxy-phenyl)-heptane-1-sulfonic acid methyl ester
CID 25017611
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
4-Ethyl-phenoxathiine 10,10-dioxide
CID 10730054
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-methoxybenzene
CID 14566332
4-(2-Phenylethoxy)benzenesulfonamide
CID 43342475
4-Methyl-phenoxathiine 10,10-dioxide
CID 44307520
Benzenesulfonic acid, dodecyl(sulfophenoxy)-, ammonium salt (1:2)
CID 172053
5-ethyl-2-methoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811250
Benzene, 1-methyl-4-(4-(methylsulfonyl)phenoxy)-
CID 514880

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylmethoxybenzenesulfonyl chloride?
The IUPAC name of 5-methyl-2-phenylmethoxybenzenesulfonyl chloride (CID 18069984) is 5-methyl-2-phenylmethoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-methyl-2-phenylmethoxybenzenesulfonyl chloride?
The canonical SMILES for 5-methyl-2-phenylmethoxybenzenesulfonyl chloride is Cc1ccc(OCc2ccccc2)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-methyl-2-phenylmethoxybenzenesulfonyl chloride?
The InChIKey is FIBRFUDCLUQTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3S/c1-11-7-8-13(14(9-11)19(15,16)17)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 5-methyl-2-phenylmethoxybenzenesulfonyl chloride?
5-methyl-2-phenylmethoxybenzenesulfonyl chloride has a molecular weight of 296.77 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylmethoxybenzenesulfonyl chloride is sourced from PubChem (CID 18069984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).