6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride

C12H10ClNO3S2 — CID 112572747

IUPAC6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
SMILESCSc1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)cc1
InChIInChI=1S/C12H10ClNO3S2/c1-18-10-4-2-9(3-5-10)17-12-7-6-11(8-14-12)19(13,15)16/h2-8H,1H3
InChIKeyCGTKJTHQCUPNBN-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.52
Rot. Bonds4

About 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride

6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride (PubChem CID 112572747) has the molecular formula C12H10ClNO3S2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
PubChem CID112572747
Molecular FormulaC12H10ClNO3S2
Molecular Weight315.80 g/mol
Exact Mass314.98
IUPAC Name6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
SMILESCSc1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)cc1
InChIInChI=1S/C12H10ClNO3S2/c1-18-10-4-2-9(3-5-10)17-12-7-6-11(8-14-12)19(13,15)16/h2-8H,1H3
InChIKeyCGTKJTHQCUPNBN-UHFFFAOYSA-N
XLogP3.52
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 115928135
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
CID 115928074
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484
6-quinolin-7-yloxypyridine-3-sulfonyl chloride
CID 107313180
(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
6-cyclopropyloxypyridine-3-sulfonyl chloride
CID 130116328
(5-chlorosulfonyl-2-pyridinyl) carbamate
CID 175221806

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride (CID 112572747) is 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride is CSc1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)cc1.
What is the InChIKey of 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is CGTKJTHQCUPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S2/c1-18-10-4-2-9(3-5-10)17-12-7-6-11(8-14-12)19(13,15)16/h2-8H,1H3.
What are the key properties of 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride?
6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 315.80 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).