5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride

C7H2BrClF2N2O2S — CID 130109187

IUPAC5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESN#Cc1c(S(=O)(=O)Cl)ncc(Br)c1C(F)F
InChIInChI=1S/C7H2BrClF2N2O2S/c8-4-2-13-7(16(9,14)15)3(1-12)5(4)6(10)11/h2,6H
InChIKeyWWSYSNUWWLSDRB-UHFFFAOYSA-N
MW331.53 g/mol
LogP2.58
Rot. Bonds2

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

5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride (PubChem CID 130109187) has the molecular formula C7H2BrClF2N2O2S and a molecular weight of 331.53 g/mol. Its IUPAC name is 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
PubChem CID130109187
Molecular FormulaC7H2BrClF2N2O2S
Molecular Weight331.53 g/mol
Exact Mass329.87
IUPAC Name5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride
SMILESN#Cc1c(S(=O)(=O)Cl)ncc(Br)c1C(F)F
InChIInChI=1S/C7H2BrClF2N2O2S/c8-4-2-13-7(16(9,14)15)3(1-12)5(4)6(10)11/h2,6H
InChIKeyWWSYSNUWWLSDRB-UHFFFAOYSA-N
XLogP2.58
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
5-cyano-3-(difluoromethyl)-4-fluoropyridine-2-sulfonyl chloride
CID 130076373
4-cyano-5-(difluoromethyl)-3-methylpyridine-2-sulfonyl chloride
CID 118838566
3-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130069020
4-bromo-3-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 118822917
5-cyano-3-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 131454528
4-cyano-5-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 118850099
6-amino-4-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103695
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
5-bromo-3-(difluoromethyl)-2-formylpyridine-4-carbonitrile
CID 130108998
5-bromo-2-chloro-3-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130108482

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
The IUPAC name of 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride (CID 130109187) is 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
The canonical SMILES for 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride is N#Cc1c(S(=O)(=O)Cl)ncc(Br)c1C(F)F.
What is the InChIKey of 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
The InChIKey is WWSYSNUWWLSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF2N2O2S/c8-4-2-13-7(16(9,14)15)3(1-12)5(4)6(10)11/h2,6H.
What are the key properties of 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride?
5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride has a molecular weight of 331.53 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyano-4-(difluoromethyl)pyridine-2-sulfonyl chloride is sourced from PubChem (CID 130109187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).