2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride

C13H11Cl2NO3S — CID 82909777

IUPAC2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2ccncc2Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-9-2-3-12(13(6-9)20(15,17)18)19-8-10-4-5-16-7-11(10)14/h2-7H,8H2,1H3
InChIKeyRZLPZHGVWIDXHD-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.55
Rot. Bonds4

About 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride

2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride (PubChem CID 82909777) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
PubChem CID82909777
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride
SMILESCc1ccc(OCc2ccncc2Cl)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-9-2-3-12(13(6-9)20(15,17)18)19-8-10-4-5-16-7-11(10)14/h2-7H,8H2,1H3
InChIKeyRZLPZHGVWIDXHD-UHFFFAOYSA-N
XLogP3.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-4-[(3-chloro-4-pyridinyl)methoxy]benzenesulfonyl chloride
CID 82912787
2-[(3,5-dimethylphenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 61028881
4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912389
2-[(2,4-dichlorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 43342438
2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 43111244
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
4-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 59391367
2-[(E)-but-2-enoxy]-5-methylbenzenesulfonyl chloride
CID 82909624
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
(1S)-1-[5-chloro-2-[(3-chloro-4-pyridinyl)methoxy]phenyl]ethanamine
CID 79014080
5-methyl-2-(2-methylbutoxy)benzenesulfonyl chloride
CID 78986414
5-methyl-2-[2-(3-methylbutoxy)ethoxy]benzenesulfonyl chloride
CID 61483543

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride (CID 82909777) is 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride is Cc1ccc(OCc2ccncc2Cl)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride?
The InChIKey is RZLPZHGVWIDXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-9-2-3-12(13(6-9)20(15,17)18)19-8-10-4-5-16-7-11(10)14/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride?
2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride has a molecular weight of 332.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methoxy]-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).