2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H15F3N4O4S2 — CID 135485203

IUPAC2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc(NS(=O)(=O)c2ccccc2)cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O4S2/c20-19(21,22)12-5-4-6-13(9-12)23-17(28)11-31-18-24-15(10-16(27)25-18)26-32(29,30)14-7-2-1-3-8-14/h1-10H,11H2,(H,23,28)(H2,24,25,26,27)
InChIKeyHPIQHQXWFIFXQN-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.32
Rot. Bonds7

About 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 135485203) has the molecular formula C19H15F3N4O4S2 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID135485203
Molecular FormulaC19H15F3N4O4S2
Molecular Weight484.48 g/mol
Exact Mass484.05
IUPAC Name2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSc1nc(NS(=O)(=O)c2ccccc2)cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H15F3N4O4S2/c20-19(21,22)12-5-4-6-13(9-12)23-17(28)11-31-18-24-15(10-16(27)25-18)26-32(29,30)14-7-2-1-3-8-14/h1-10H,11H2,(H,23,28)(H2,24,25,26,27)
InChIKeyHPIQHQXWFIFXQN-UHFFFAOYSA-N
XLogP3.32
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 135485203) is 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CSc1nc(NS(=O)(=O)c2ccccc2)cc(=O)[nH]1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HPIQHQXWFIFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4S2/c20-19(21,22)12-5-4-6-13(9-12)23-17(28)11-31-18-24-15(10-16(27)25-18)26-32(29,30)14-7-2-1-3-8-14/h1-10H,11H2,(H,23,28)(H2,24,25,26,27).
What are the key properties of 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 484.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135485203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).