N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide

C16H11ClFN3O3S — CID 3846671

IUPACN-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H11ClFN3O3S/c17-14-10-12(4-7-15(14)24-16-19-8-1-9-20-16)21-25(22,23)13-5-2-11(18)3-6-13/h1-10,21H
InChIKeyJKAQEOXTVFXLSB-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.86
Rot. Bonds5

About N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide

N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide (PubChem CID 3846671) has the molecular formula C16H11ClFN3O3S and a molecular weight of 379.80 g/mol. Its IUPAC name is N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide
PubChem CID3846671
Molecular FormulaC16H11ClFN3O3S
Molecular Weight379.80 g/mol
Exact Mass379.02
IUPAC NameN-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H11ClFN3O3S/c17-14-10-12(4-7-15(14)24-16-19-8-1-9-20-16)21-25(22,23)13-5-2-11(18)3-6-13/h1-10,21H
InChIKeyJKAQEOXTVFXLSB-UHFFFAOYSA-N
XLogP3.86
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide (CID 3846671) is N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is JKAQEOXTVFXLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3S/c17-14-10-12(4-7-15(14)24-16-19-8-1-9-20-16)21-25(22,23)13-5-2-11(18)3-6-13/h1-10,21H.
What are the key properties of N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide?
N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 379.80 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrimidin-2-yloxyphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3846671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).