N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

C20H18ClF3N4O4S — CID 18184243

IUPACN-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1NS(=O)(=O)c1ccc(C(C)C)cn1
InChIInChI=1S/C20H18ClF3N4O4S/c1-11(2)12-8-9-15(25-10-12)33(29,30)28-18-16(17(21)26-19(27-18)20(22,23)24)32-14-7-5-4-6-13(14)31-3/h4-11H,1-3H3,(H,26,27,28)
InChIKeySOKTVSACRXDRMQ-UHFFFAOYSA-N
MW502.90 g/mol
LogP5.27
Rot. Bonds7

About N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide

N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (PubChem CID 18184243) has the molecular formula C20H18ClF3N4O4S and a molecular weight of 502.90 g/mol. Its IUPAC name is N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
PubChem CID18184243
Molecular FormulaC20H18ClF3N4O4S
Molecular Weight502.90 g/mol
Exact Mass502.07
IUPAC NameN-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
SMILESCOc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1NS(=O)(=O)c1ccc(C(C)C)cn1
InChIInChI=1S/C20H18ClF3N4O4S/c1-11(2)12-8-9-15(25-10-12)33(29,30)28-18-16(17(21)26-19(27-18)20(22,23)24)32-14-7-5-4-6-13(14)31-3/h4-11H,1-3H3,(H,26,27,28)
InChIKeySOKTVSACRXDRMQ-UHFFFAOYSA-N
XLogP5.27
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The IUPAC name of N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide (CID 18184243) is N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The canonical SMILES for N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is COc1ccccc1Oc1c(Cl)nc(C(F)(F)F)nc1NS(=O)(=O)c1ccc(C(C)C)cn1.
What is the InChIKey of N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
The InChIKey is SOKTVSACRXDRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O4S/c1-11(2)12-8-9-15(25-10-12)33(29,30)28-18-16(17(21)26-19(27-18)20(22,23)24)32-14-7-5-4-6-13(14)31-3/h4-11H,1-3H3,(H,26,27,28).
What are the key properties of N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide?
N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide has a molecular weight of 502.90 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(2-methoxyphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide is sourced from PubChem (CID 18184243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).