N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide

C14H10ClF5N2O3S — CID 166317923

IUPACN-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1c(Cl)cccc1OC(F)F)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H10ClF5N2O3S/c15-10-4-1-5-11(25-13(16)17)8(10)7-22-26(23,24)12-9(14(18,19)20)3-2-6-21-12/h1-6,13,22H,7H2
InChIKeyJPTUUYNNBPYHQP-UHFFFAOYSA-N
MW416.76 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide

N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 166317923) has the molecular formula C14H10ClF5N2O3S and a molecular weight of 416.76 g/mol. Its IUPAC name is N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID166317923
Molecular FormulaC14H10ClF5N2O3S
Molecular Weight416.76 g/mol
Exact Mass416.00
IUPAC NameN-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCc1c(Cl)cccc1OC(F)F)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H10ClF5N2O3S/c15-10-4-1-5-11(25-13(16)17)8(10)7-22-26(23,24)12-9(14(18,19)20)3-2-6-21-12/h1-6,13,22H,7H2
InChIKeyJPTUUYNNBPYHQP-UHFFFAOYSA-N
XLogP3.83
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide (CID 166317923) is N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide is O=S(=O)(NCc1c(Cl)cccc1OC(F)F)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is JPTUUYNNBPYHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF5N2O3S/c15-10-4-1-5-11(25-13(16)17)8(10)7-22-26(23,24)12-9(14(18,19)20)3-2-6-21-12/h1-6,13,22H,7H2.
What are the key properties of N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 416.76 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(difluoromethoxy)phenyl]methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 166317923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).