2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride

C14H10Cl2O4S — CID 58107445

IUPAC2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O4S/c1-20-11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(8-10)21(16,18)19/h2-8H,1H3
InChIKeyALDUHLHNPOSIKC-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.51
Rot. Bonds4

About 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride

2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride (PubChem CID 58107445) has the molecular formula C14H10Cl2O4S and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
PubChem CID58107445
Molecular FormulaC14H10Cl2O4S
Molecular Weight345.20 g/mol
Exact Mass343.97
IUPAC Name2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
SMILESCOc1ccc(C(=O)c2ccc(Cl)c(S(=O)(=O)Cl)c2)cc1
InChIInChI=1S/C14H10Cl2O4S/c1-20-11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(8-10)21(16,18)19/h2-8H,1H3
InChIKeyALDUHLHNPOSIKC-UHFFFAOYSA-N
XLogP3.51
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
methyl 4-chloro-3-chlorosulfonylbenzoate
CID 18071846
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325
2-chloro-5-(6-methoxy-1-benzofuran-2-carbonyl)benzenesulfonamide
CID 21316621
2-chloro-5-(2-chloroacetyl)benzenesulfonyl chloride
CID 88831964
(4-methoxyphenyl)-oxomethanesulfonyl chloride
CID 21104949
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
4-methylpentan-2-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65397533
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
CID 18082399
3-chlorosulfonylbenzoyl chloride;methane;3-(4-methoxybenzoyl)benzenesulfonamide;3-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 157358434
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride (CID 58107445) is 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride is COc1ccc(C(=O)c2ccc(Cl)c(S(=O)(=O)Cl)c2)cc1.
What is the InChIKey of 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride?
The InChIKey is ALDUHLHNPOSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O4S/c1-20-11-5-2-9(3-6-11)14(17)10-4-7-12(15)13(8-10)21(16,18)19/h2-8H,1H3.
What are the key properties of 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride?
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride has a molecular weight of 345.20 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride is sourced from PubChem (CID 58107445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).