6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride

C12H8ClFN2O4S — CID 115928135

IUPAC6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
SMILESNC(=O)c1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)cc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-21(18,19)8-2-4-11(16-6-8)20-7-1-3-9(12(15)17)10(14)5-7/h1-6H,(H2,15,17)
InChIKeyGBWFWPYDDHVXKI-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.04
Rot. Bonds4

About 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride

6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride (PubChem CID 115928135) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
PubChem CID115928135
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC Name6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
SMILESNC(=O)c1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)cc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-21(18,19)8-2-4-11(16-6-8)20-7-1-3-9(12(15)17)10(14)5-7/h1-6H,(H2,15,17)
InChIKeyGBWFWPYDDHVXKI-UHFFFAOYSA-N
XLogP2.04
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112572688
(5-chlorosulfonyl-2-pyridinyl) carbamate
CID 175221806
2-fluoro-4-[(5-fluoro-2-pyridinyl)oxy]benzoic acid
CID 107677466
6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
CID 112572747
2,4-dichlorobenzamide;6-phenoxypyridine-3-sulfonic acid
CID 87659609
6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
CID 115928074
2-bromo-4-fluorobenzamide;6-phenoxypyridine-3-sulfonic acid
CID 87659715
6-quinolin-7-yloxypyridine-3-sulfonyl chloride
CID 107313180
4-fluoro-2-(trifluoromethyl)benzamide;6-phenoxypyridine-3-sulfonic acid
CID 87659996
4-[(5-tert-butyl-2-pyridinyl)oxy]-2-fluorobenzoic acid
CID 107875380
3-(4-carbamoyl-3-fluorophenoxy)pyridine-4-carboxylic acid
CID 105062510

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride?
The IUPAC name of 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride (CID 115928135) is 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride.
What is the SMILES notation for 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride?
The canonical SMILES for 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride is NC(=O)c1ccc(Oc2ccc(S(=O)(=O)Cl)cn2)cc1F.
What is the InChIKey of 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride?
The InChIKey is GBWFWPYDDHVXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-21(18,19)8-2-4-11(16-6-8)20-7-1-3-9(12(15)17)10(14)5-7/h1-6H,(H2,15,17).
What are the key properties of 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride?
6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride has a molecular weight of 330.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride is sourced from PubChem (CID 115928135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).