N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide

C12H8ClFN2O4S — CID 103299532

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ncccc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-7-4-10-11(20-6-19-10)5-9(7)16-21(17,18)12-8(14)2-1-3-15-12/h1-5,16H,6H2
InChIKeyCEAVFSYGTABHMT-UHFFFAOYSA-N
MW330.72 g/mol
LogP2.40
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide

N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299532) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299532
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ncccc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-7-4-10-11(20-6-19-10)5-9(7)16-21(17,18)12-8(14)2-1-3-15-12/h1-5,16H,6H2
InChIKeyCEAVFSYGTABHMT-UHFFFAOYSA-N
XLogP2.40
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide (CID 103299532) is N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ncccc1F.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is CEAVFSYGTABHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-7-4-10-11(20-6-19-10)5-9(7)16-21(17,18)12-8(14)2-1-3-15-12/h1-5,16H,6H2.
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 330.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).