3,4,5-trimethoxybenzenesulfonyl chloride

C9H11ClO5S — CID 15196158

IUPAC3,4,5-trimethoxybenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)cc(OC)c1OC
InChIInChI=1S/C9H11ClO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
InChIKeyMQSMMBMVEDEDQR-UHFFFAOYSA-N
MW266.70 g/mol
LogP1.64
Rot. Bonds4

About 3,4,5-trimethoxybenzenesulfonyl chloride

3,4,5-trimethoxybenzenesulfonyl chloride (PubChem CID 15196158) has the molecular formula C9H11ClO5S and a molecular weight of 266.70 g/mol. Its IUPAC name is 3,4,5-trimethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3,4,5-trimethoxybenzenesulfonyl chloride
PubChem CID15196158
Molecular FormulaC9H11ClO5S
Molecular Weight266.70 g/mol
Exact Mass266.00
IUPAC Name3,4,5-trimethoxybenzenesulfonyl chloride
SMILESCOc1cc(S(=O)(=O)Cl)cc(OC)c1OC
InChIInChI=1S/C9H11ClO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3
InChIKeyMQSMMBMVEDEDQR-UHFFFAOYSA-N
XLogP1.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloroethylsulfonyl)-1,2,3-trimethoxybenzene
CID 19869410
3-formyl-5-methoxy-4-methylbenzenesulfonyl chloride
CID 171022027
3-iodo-4-methoxybenzenesulfonyl chloride
CID 4961876
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
(3,4,5-trimethoxybenzoyl)sulfonyl-(3,4,5-trimethoxyphenyl)methanone
CID 88824717
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride
CID 84811098
3-iodo-4-methoxy-5-nitrobenzenesulfonyl chloride
CID 172969413
6-(difluoromethyl)-5-methoxypyridine-3-sulfonyl chloride
CID 118815341
2,3-dimethoxy-5-methylsulfonylbenzoic acid
CID 13053688
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxybenzenesulfonyl chloride?
The IUPAC name of 3,4,5-trimethoxybenzenesulfonyl chloride (CID 15196158) is 3,4,5-trimethoxybenzenesulfonyl chloride.
What is the SMILES notation for 3,4,5-trimethoxybenzenesulfonyl chloride?
The canonical SMILES for 3,4,5-trimethoxybenzenesulfonyl chloride is COc1cc(S(=O)(=O)Cl)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxybenzenesulfonyl chloride?
The InChIKey is MQSMMBMVEDEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3.
What are the key properties of 3,4,5-trimethoxybenzenesulfonyl chloride?
3,4,5-trimethoxybenzenesulfonyl chloride has a molecular weight of 266.70 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxybenzenesulfonyl chloride is sourced from PubChem (CID 15196158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).