N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide

C17H11F4N3O4S — CID 122303163

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H11F4N3O4S/c18-12-5-1-2-6-13(12)27-16-22-9-11(10-23-16)24-29(25,26)15-8-4-3-7-14(15)28-17(19,20)21/h1-10,24H
InChIKeySODSVPWKAWVWMB-UHFFFAOYSA-N
MW429.35 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 122303163) has the molecular formula C17H11F4N3O4S and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID122303163
Molecular FormulaC17H11F4N3O4S
Molecular Weight429.35 g/mol
Exact Mass429.04
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H11F4N3O4S/c18-12-5-1-2-6-13(12)27-16-22-9-11(10-23-16)24-29(25,26)15-8-4-3-7-14(15)28-17(19,20)21/h1-10,24H
InChIKeySODSVPWKAWVWMB-UHFFFAOYSA-N
XLogP4.11
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122303180
3,4-difluoro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzenesulfonamide
CID 91968436
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
4-ethoxy-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methylbenzenesulfonamide
CID 122303147
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122303161

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide (CID 122303163) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SODSVPWKAWVWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O4S/c18-12-5-1-2-6-13(12)27-16-22-9-11(10-23-16)24-29(25,26)15-8-4-3-7-14(15)28-17(19,20)21/h1-10,24H.
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 429.35 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 122303163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).