4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide

C15H14ClF3N2O3S — CID 1471207

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H14ClF3N2O3S/c1-9(2)21-25(22,23)12-5-3-11(4-6-12)24-14-13(16)7-10(8-20-14)15(17,18)19/h3-9,21H,1-2H3
InChIKeyNIJTUDCAEFZYJX-UHFFFAOYSA-N
MW394.80 g/mol
LogP4.23
Rot. Bonds5

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1471207) has the molecular formula C15H14ClF3N2O3S and a molecular weight of 394.80 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide
PubChem CID1471207
Molecular FormulaC15H14ClF3N2O3S
Molecular Weight394.80 g/mol
Exact Mass394.04
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H14ClF3N2O3S/c1-9(2)21-25(22,23)12-5-3-11(4-6-12)24-14-13(16)7-10(8-20-14)15(17,18)19/h3-9,21H,1-2H3
InChIKeyNIJTUDCAEFZYJX-UHFFFAOYSA-N
XLogP4.23
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.80
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2240759
3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 1471186
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-propylbenzenesulfonamide
CID 4353061
6-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]pyridine-3-sulfonamide
CID 8933114
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 18284689
4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-N-(3-(dimethylamino)propyl)benzenesulfonamide
CID 3835354
N-[(1R)-1-pyridin-3-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 40673140
US11414402, Example 19
CID 137352239
2,5-Dichloro-4-ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 1094927
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylbenzenesulfonamide
CID 1471205
N-(Tert-butyl)-4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)benzenesulfonamide
CID 1471208

Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide (CID 1471207) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NIJTUDCAEFZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O3S/c1-9(2)21-25(22,23)12-5-3-11(4-6-12)24-14-13(16)7-10(8-20-14)15(17,18)19/h3-9,21H,1-2H3.
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 394.80 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1471207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).