5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride

C16H12Cl2O4S — CID 10714255

IUPAC5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride
SMILESCOc1ccc(Sc2ccc(OC)c(C(=O)Cl)c2)cc1C(=O)Cl
InChIInChI=1S/C16H12Cl2O4S/c1-21-13-5-3-9(7-11(13)15(17)19)23-10-4-6-14(22-2)12(8-10)16(18)20/h3-8H,1-2H3
InChIKeyABWXCURPJJTHGR-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.61
Rot. Bonds6

About 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride

5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride (PubChem CID 10714255) has the molecular formula C16H12Cl2O4S and a molecular weight of 371.24 g/mol. Its IUPAC name is 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride
PubChem CID10714255
Molecular FormulaC16H12Cl2O4S
Molecular Weight371.24 g/mol
Exact Mass369.98
IUPAC Name5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride
SMILESCOc1ccc(Sc2ccc(OC)c(C(=O)Cl)c2)cc1C(=O)Cl
InChIInChI=1S/C16H12Cl2O4S/c1-21-13-5-3-9(7-11(13)15(17)19)23-10-4-6-14(22-2)12(8-10)16(18)20/h3-8H,1-2H3
InChIKeyABWXCURPJJTHGR-UHFFFAOYSA-N
XLogP4.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-5-(4-nitrophenyl)sulfanylbenzoate
CID 91878933
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347
5-(3-benzhydryloxycarbonyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoic acid
CID 10720199
2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
CID 86032170
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
5-ethylsulfanyl-2-methoxybenzoic acid;methanamine
CID 166157652
5-methoxy-2-methylperoxybenzoyl chloride
CID 141072137
4-(4-bromophenyl)sulfanyl-2-methoxybenzoic acid
CID 91877289
4-(4-aminophenyl)sulfanyl-2-methoxybenzoic acid
CID 91880013
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
2-[5-(4-iodophenyl)sulfanyl-2-methoxyphenyl]acetic acid
CID 91877906

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride?
The IUPAC name of 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride (CID 10714255) is 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride.
What is the SMILES notation for 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride?
The canonical SMILES for 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride is COc1ccc(Sc2ccc(OC)c(C(=O)Cl)c2)cc1C(=O)Cl.
What is the InChIKey of 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride?
The InChIKey is ABWXCURPJJTHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2O4S/c1-21-13-5-3-9(7-11(13)15(17)19)23-10-4-6-14(22-2)12(8-10)16(18)20/h3-8H,1-2H3.
What are the key properties of 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride?
5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride has a molecular weight of 371.24 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbonochloridoyl-4-methoxyphenyl)sulfanyl-2-methoxybenzoyl chloride is sourced from PubChem (CID 10714255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).