3-methoxy-4-phenylbenzenesulfonyl chloride

C13H11ClO3S — CID 115059705

IUPAC3-methoxy-4-phenylbenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)ccc1-c1ccccc1
InChIInChI=1S/C13H11ClO3S/c1-17-13-9-11(18(14,15)16)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyZUSZZRPRXRPYAH-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.29
Rot. Bonds3

About 3-methoxy-4-phenylbenzenesulfonyl chloride

3-methoxy-4-phenylbenzenesulfonyl chloride (PubChem CID 115059705) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-methoxy-4-phenylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-methoxy-4-phenylbenzenesulfonyl chloride
PubChem CID115059705
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name3-methoxy-4-phenylbenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)ccc1-c1ccccc1
InChIInChI=1S/C13H11ClO3S/c1-17-13-9-11(18(14,15)16)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyZUSZZRPRXRPYAH-UHFFFAOYSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-phenylbenzenesulfonyl chloride
CID 87181125
3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
CID 82308085
4-bromo-2-methoxy-1-phenylbenzene
CID 18379655
3-benzamido-4-methoxybenzenesulfonyl chloride
CID 43140030
N-(3-methoxy-4-phenylphenyl)ethanesulfonamide
CID 71225607
3,4-dimethoxybenzenesulfonyl chloride;3,4-dimethoxy-N-(4-phenylphenyl)benzenesulfonamide;4-phenylaniline
CID 160749115
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
3-iodo-4-methoxybenzenesulfonyl chloride
CID 4961876
4-(2-methylprop-2-enoxy)-3-phenylbenzenesulfonyl chloride
CID 82912553
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
3-phenyl-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909640
4-(3-fluoropropoxy)-3-phenylbenzenesulfonyl chloride
CID 81106787

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylbenzenesulfonyl chloride?
The IUPAC name of 3-methoxy-4-phenylbenzenesulfonyl chloride (CID 115059705) is 3-methoxy-4-phenylbenzenesulfonyl chloride.
What is the SMILES notation for 3-methoxy-4-phenylbenzenesulfonyl chloride?
The canonical SMILES for 3-methoxy-4-phenylbenzenesulfonyl chloride is COc1cc(S(=O)(=O)Cl)ccc1-c1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylbenzenesulfonyl chloride?
The InChIKey is ZUSZZRPRXRPYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-17-13-9-11(18(14,15)16)7-8-12(13)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 3-methoxy-4-phenylbenzenesulfonyl chloride?
3-methoxy-4-phenylbenzenesulfonyl chloride has a molecular weight of 282.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylbenzenesulfonyl chloride is sourced from PubChem (CID 115059705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).