2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide

C20H16ClF3N4O3S — CID 134284243

IUPAC2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)ccc1Cl)NCc1ccncn1
InChIInChI=1S/C20H16ClF3N4O3S/c21-17-6-5-13(20(22,23)24)9-16(17)15-3-1-2-4-18(15)32(30,31)28-11-19(29)26-10-14-7-8-25-12-27-14/h1-9,12,28H,10-11H2,(H,26,29)
InChIKeyOVJDSCBBKLVURB-UHFFFAOYSA-N
MW484.89 g/mol
LogP3.41
Rot. Bonds7

About 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide

2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide (PubChem CID 134284243) has the molecular formula C20H16ClF3N4O3S and a molecular weight of 484.89 g/mol. Its IUPAC name is 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide
PubChem CID134284243
Molecular FormulaC20H16ClF3N4O3S
Molecular Weight484.89 g/mol
Exact Mass484.06
IUPAC Name2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)ccc1Cl)NCc1ccncn1
InChIInChI=1S/C20H16ClF3N4O3S/c21-17-6-5-13(20(22,23)24)9-16(17)15-3-1-2-4-18(15)32(30,31)28-11-19(29)26-10-14-7-8-25-12-27-14/h1-9,12,28H,10-11H2,(H,26,29)
InChIKeyOVJDSCBBKLVURB-UHFFFAOYSA-N
XLogP3.41
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide?
The IUPAC name of 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide (CID 134284243) is 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide is O=C(CNS(=O)(=O)c1ccccc1-c1cc(C(F)(F)F)ccc1Cl)NCc1ccncn1.
What is the InChIKey of 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide?
The InChIKey is OVJDSCBBKLVURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3S/c21-17-6-5-13(20(22,23)24)9-16(17)15-3-1-2-4-18(15)32(30,31)28-11-19(29)26-10-14-7-8-25-12-27-14/h1-9,12,28H,10-11H2,(H,26,29).
What are the key properties of 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide?
2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide has a molecular weight of 484.89 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-chloro-5-(trifluoromethyl)phenyl]phenyl]sulfonylamino]-N-(pyrimidin-4-ylmethyl)acetamide is sourced from PubChem (CID 134284243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).