N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide

C19H15ClFN3O3S — CID 71285521

IUPACN-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O3S/c20-16-9-12(1-8-18(16)27-14-4-5-14)17-10-19(23-11-22-17)24-28(25,26)15-6-2-13(21)3-7-15/h1-3,6-11,14H,4-5H2,(H,22,23,24)
InChIKeyNHNNNQMEILXDMV-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.28
Rot. Bonds6

About N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide

N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide (PubChem CID 71285521) has the molecular formula C19H15ClFN3O3S and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
PubChem CID71285521
Molecular FormulaC19H15ClFN3O3S
Molecular Weight419.87 g/mol
Exact Mass419.05
IUPAC NameN-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1)c1ccc(F)cc1
InChIInChI=1S/C19H15ClFN3O3S/c20-16-9-12(1-8-18(16)27-14-4-5-14)17-10-19(23-11-22-17)24-28(25,26)15-6-2-13(21)3-7-15/h1-3,6-11,14H,4-5H2,(H,22,23,24)
InChIKeyNHNNNQMEILXDMV-UHFFFAOYSA-N
XLogP4.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide (CID 71285521) is N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc(OC3CC3)c(Cl)c2)ncn1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
The InChIKey is NHNNNQMEILXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S/c20-16-9-12(1-8-18(16)27-14-4-5-14)17-10-19(23-11-22-17)24-28(25,26)15-6-2-13(21)3-7-15/h1-3,6-11,14H,4-5H2,(H,22,23,24).
What are the key properties of N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide?
N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide has a molecular weight of 419.87 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidin-4-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 71285521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).