3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide

C12H10ClFN2O2S — CID 890109

IUPAC3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-11-7-10(4-5-12(11)14)19(17,18)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2
InChIKeyOYPDGDOVWQYXAZ-UHFFFAOYSA-N
MW300.74 g/mol
LogP2.35
Rot. Bonds4

About 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 890109) has the molecular formula C12H10ClFN2O2S and a molecular weight of 300.74 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID890109
Molecular FormulaC12H10ClFN2O2S
Molecular Weight300.74 g/mol
Exact Mass300.01
IUPAC Name3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10ClFN2O2S/c13-11-7-10(4-5-12(11)14)19(17,18)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2
InChIKeyOYPDGDOVWQYXAZ-UHFFFAOYSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 890109) is 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is OYPDGDOVWQYXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2S/c13-11-7-10(4-5-12(11)14)19(17,18)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2.
What are the key properties of 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 300.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 890109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).