6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride

C12H9Cl2NO3S — CID 112572733

IUPAC6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO3S/c1-8-2-4-11(10(13)6-8)18-12-5-3-9(7-15-12)19(14,16)17/h2-7H,1H3
InChIKeyNYYFWSFQFUQXEM-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.76
Rot. Bonds3

About 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride

6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride (PubChem CID 112572733) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
PubChem CID112572733
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
SMILESCc1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO3S/c1-8-2-4-11(10(13)6-8)18-12-5-3-9(7-15-12)19(14,16)17/h2-7H,1H3
InChIKeyNYYFWSFQFUQXEM-UHFFFAOYSA-N
XLogP3.76
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-chloro-4-methylphenoxy)-3-pyridinyl]methanol
CID 62672212
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
5-ethylsulfonyl-2-(2,4,5-trichlorophenoxy)pyridine
CID 13102727
6-(2-chloro-4-methylphenoxy)-4-methylpyridin-3-amine
CID 79176554
1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2540560
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
6-[2-chloro-4-(trifluoromethyl)phenoxy]pyridine-3-sulfonamide
CID 70291084
6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 4791531
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride (CID 112572733) is 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride is Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is NYYFWSFQFUQXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c1-8-2-4-11(10(13)6-8)18-12-5-3-9(7-15-12)19(14,16)17/h2-7H,1H3.
What are the key properties of 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride?
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 318.18 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 112572733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).