5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride

C8H10ClFN2O2S — CID 146570498

IUPAC5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride
SMILESCN(C)Cc1cnc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H10ClFN2O2S/c1-12(2)5-6-3-7(10)8(11-4-6)15(9,13)14/h3-4H,5H2,1-2H3
InChIKeyBGYMZXQSZUMMGX-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.21
Rot. Bonds3

About 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride

5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride (PubChem CID 146570498) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride
PubChem CID146570498
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride
SMILESCN(C)Cc1cnc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C8H10ClFN2O2S/c1-12(2)5-6-3-7(10)8(11-4-6)15(9,13)14/h3-4H,5H2,1-2H3
InChIKeyBGYMZXQSZUMMGX-UHFFFAOYSA-N
XLogP1.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[amino-[5-[(dimethylamino)methyl]-3-fluoro-2-pyridinyl]-oxo-λ6-sulfanylidene]-3-[4-(difluoromethyl)-2,6-di(propan-2-yl)phenyl]urea
CID 167359037
3,5-difluoro-4-methylpyridine-2-sulfonyl chloride
CID 146421692
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carbaldehyde
CID 155338894
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
CID 155338745
3-[(dimethylamino)methyl]-5-(trifluoromethyl)benzenesulfonyl chloride
CID 83271460
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
CID 10880058
3-[(6-bromo-5-fluoro-3-pyridinyl)methyl-methylamino]-2H-furan-5-one
CID 59403122
[4-(dimethylamino)-3-fluorophenyl]methanesulfonyl chloride
CID 84707494
2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine
CID 112676085

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride (CID 146570498) is 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride is CN(C)Cc1cnc(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride?
The InChIKey is BGYMZXQSZUMMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c1-12(2)5-6-3-7(10)8(11-4-6)15(9,13)14/h3-4H,5H2,1-2H3.
What are the key properties of 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride?
5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride has a molecular weight of 252.70 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-3-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 146570498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).