3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride

C7H5Cl2F2NO3S — CID 130074018

IUPAC3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1c(C(F)F)cnc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H5Cl2F2NO3S/c1-15-5-3(6(10)11)2-12-7(4(5)8)16(9,13)14/h2,6H,1H3
InChIKeyYYTCUXXKYZXAEW-UHFFFAOYSA-N
MW292.09 g/mol
LogP2.61
Rot. Bonds3

About 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride

3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride (PubChem CID 130074018) has the molecular formula C7H5Cl2F2NO3S and a molecular weight of 292.09 g/mol. Its IUPAC name is 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
PubChem CID130074018
Molecular FormulaC7H5Cl2F2NO3S
Molecular Weight292.09 g/mol
Exact Mass290.93
IUPAC Name3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
SMILESCOc1c(C(F)F)cnc(S(=O)(=O)Cl)c1Cl
InChIInChI=1S/C7H5Cl2F2NO3S/c1-15-5-3(6(10)11)2-12-7(4(5)8)16(9,13)14/h2,6H,1H3
InChIKeyYYTCUXXKYZXAEW-UHFFFAOYSA-N
XLogP2.61
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.09
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130072163
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994
3-chloro-5-(difluoromethyl)-2,4-dimethoxypyridine
CID 130100817
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
3-chloro-5-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130072984
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
4-chloro-5-(difluoromethyl)-3-iodopyridine-2-sulfonyl chloride
CID 118816647
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 131454528
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-sulfonyl chloride
CID 118800764
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
The IUPAC name of 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride (CID 130074018) is 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride is COc1c(C(F)F)cnc(S(=O)(=O)Cl)c1Cl.
What is the InChIKey of 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
The InChIKey is YYTCUXXKYZXAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO3S/c1-15-5-3(6(10)11)2-12-7(4(5)8)16(9,13)14/h2,6H,1H3.
What are the key properties of 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride?
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride has a molecular weight of 292.09 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 130074018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).