2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C19H14ClF3N2O3S — CID 43069632

IUPAC2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H14ClF3N2O3S/c20-17-8-7-13(19(21,22)23)10-18(17)29(26,27)25-14-5-3-6-16(11-14)28-12-15-4-1-2-9-24-15/h1-11,25H,12H2
InChIKeyKJDJGUFOWQHACP-UHFFFAOYSA-N
MW442.85 g/mol
LogP5.13
Rot. Bonds6

About 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 43069632) has the molecular formula C19H14ClF3N2O3S and a molecular weight of 442.85 g/mol. Its IUPAC name is 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID43069632
Molecular FormulaC19H14ClF3N2O3S
Molecular Weight442.85 g/mol
Exact Mass442.04
IUPAC Name2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H14ClF3N2O3S/c20-17-8-7-13(19(21,22)23)10-18(17)29(26,27)25-14-5-3-6-16(11-14)28-12-15-4-1-2-9-24-15/h1-11,25H,12H2
InChIKeyKJDJGUFOWQHACP-UHFFFAOYSA-N
XLogP5.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dichloro-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069625
2-methylsulfonyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 55645155
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
4-[[3-(pyridin-2-ylmethoxy)phenyl]sulfamoyl]benzoic acid
CID 55645126
N-[3-(pyridin-2-ylmethoxy)phenyl]thiophene-2-sulfonamide
CID 39839792
3,4-dimethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzenesulfonamide
CID 43069653
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24602856
(E)-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]ethenesulfonamide
CID 43069636
2-chloro-N-(3,5-difluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 35955999
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
2-chloro-N-methyl-N-(2-pyridin-2-ylethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 3588052

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 43069632) is 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KJDJGUFOWQHACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3S/c20-17-8-7-13(19(21,22)23)10-18(17)29(26,27)25-14-5-3-6-16(11-14)28-12-15-4-1-2-9-24-15/h1-11,25H,12H2.
What are the key properties of 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 442.85 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(pyridin-2-ylmethoxy)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43069632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).