2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

C13H10ClF3N2O2S — CID 2077967

IUPAC2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H10ClF3N2O2S/c14-11-5-4-9(13(15,16)17)7-12(11)22(20,21)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2
InChIKeyKHNXQSZIBPDKBG-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.23
Rot. Bonds4

About 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 2077967) has the molecular formula C13H10ClF3N2O2S and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID2077967
Molecular FormulaC13H10ClF3N2O2S
Molecular Weight350.75 g/mol
Exact Mass350.01
IUPAC Name2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H10ClF3N2O2S/c14-11-5-4-9(13(15,16)17)7-12(11)22(20,21)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2
InChIKeyKHNXQSZIBPDKBG-UHFFFAOYSA-N
XLogP3.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide (CID 2077967) is 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KHNXQSZIBPDKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O2S/c14-11-5-4-9(13(15,16)17)7-12(11)22(20,21)19-8-10-3-1-2-6-18-10/h1-7,19H,8H2.
What are the key properties of 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 350.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2077967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).