N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide

C16H16ClF3N2O3S — CID 1471208

IUPACN-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H16ClF3N2O3S/c1-15(2,3)22-26(23,24)12-6-4-11(5-7-12)25-14-13(17)8-10(9-21-14)16(18,19)20/h4-9,22H,1-3H3
InChIKeyKRHZEIFGCXYWIE-UHFFFAOYSA-N
MW408.83 g/mol
LogP4.62
Rot. Bonds4

About N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide

N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide (PubChem CID 1471208) has the molecular formula C16H16ClF3N2O3S and a molecular weight of 408.83 g/mol. Its IUPAC name is N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
PubChem CID1471208
Molecular FormulaC16H16ClF3N2O3S
Molecular Weight408.83 g/mol
Exact Mass408.05
IUPAC NameN-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H16ClF3N2O3S/c1-15(2,3)22-26(23,24)12-6-4-11(5-7-12)25-14-13(17)8-10(9-21-14)16(18,19)20/h4-9,22H,1-3H3
InChIKeyKRHZEIFGCXYWIE-UHFFFAOYSA-N
XLogP4.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-N-isopropylbenzenesulfonamide
CID 1471207
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
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-pentylsulfonylpropanamide
CID 70681370
4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-N-(3-(dimethylamino)propyl)benzenesulfonamide
CID 3835354
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylbenzenesulfonamide
CID 1471205
4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-N-(3-methoxypropyl)benzenesulfonamide
CID 3698349
3-chloro-4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 6459769
2-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonylamino]benzenesulfonamide
CID 57751035
3-Chloro-2-((1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidin-4-yl)oxy)pyridine
CID 71798900
N-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]benzenesulfonamide
CID 156017076

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide (CID 1471208) is N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
The InChIKey is KRHZEIFGCXYWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2O3S/c1-15(2,3)22-26(23,24)12-6-4-11(5-7-12)25-14-13(17)8-10(9-21-14)16(18,19)20/h4-9,22H,1-3H3.
What are the key properties of N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide?
N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide has a molecular weight of 408.83 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide is sourced from PubChem (CID 1471208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).