4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride

C8H5ClF2N2O2S — CID 118838566

IUPAC4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)ncc(C(F)F)c1C#N
InChIInChI=1S/C8H5ClF2N2O2S/c1-4-5(2-12)6(7(10)11)3-13-8(4)16(9,14)15/h3,7H,1H3
InChIKeyRLPTYFBWGCFYIP-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.13
Rot. Bonds2

About 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride

4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride (PubChem CID 118838566) has the molecular formula C8H5ClF2N2O2S and a molecular weight of 266.66 g/mol. Its IUPAC name is 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
PubChem CID118838566
Molecular FormulaC8H5ClF2N2O2S
Molecular Weight266.66 g/mol
Exact Mass265.97
IUPAC Name4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)ncc(C(F)F)c1C#N
InChIInChI=1S/C8H5ClF2N2O2S/c1-4-5(2-12)6(7(10)11)3-13-8(4)16(9,14)15/h3,7H,1H3
InChIKeyRLPTYFBWGCFYIP-UHFFFAOYSA-N
XLogP2.13
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
3-cyano-4-(difluoromethyl)-6-methylpyridine-2-sulfonyl chloride
CID 130078518
4-cyano-5-(difluoromethyl)-2-methoxypyridine-3-sulfonyl chloride
CID 118844670
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130109187
4-cyano-5-(difluoromethyl)-2-methylpyridine-3-sulfonamide
CID 134672433
4-(difluoromethyl)-5-iodo-3-methylpyridine-2-sulfonyl chloride
CID 118852049
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 131454528
2-cyano-3-(difluoromethyl)-6-methylbenzenesulfonyl chloride
CID 131485072
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130078420
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704

Frequently Asked Questions

What is the IUPAC name of 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride?
The IUPAC name of 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride (CID 118838566) is 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride?
The canonical SMILES for 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)ncc(C(F)F)c1C#N.
What is the InChIKey of 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride?
The InChIKey is RLPTYFBWGCFYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O2S/c1-4-5(2-12)6(7(10)11)3-13-8(4)16(9,14)15/h3,7H,1H3.
What are the key properties of 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride?
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride has a molecular weight of 266.66 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride is sourced from PubChem (CID 118838566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).