2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide

C23H15F3N2O5S — CID 2109013

IUPAC2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H15F3N2O5S/c24-23(25,26)15-5-3-6-17(13-15)28-34(31,32)18-10-8-16(9-11-18)27-21(29)19-12-14-4-1-2-7-20(14)33-22(19)30/h1-13,28H,(H,27,29)
InChIKeyIJUCYMFFSLPWDK-UHFFFAOYSA-N
MW488.44 g/mol
LogP4.86
Rot. Bonds5

About 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide

2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide (PubChem CID 2109013) has the molecular formula C23H15F3N2O5S and a molecular weight of 488.44 g/mol. Its IUPAC name is 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
PubChem CID2109013
Molecular FormulaC23H15F3N2O5S
Molecular Weight488.44 g/mol
Exact Mass488.07
IUPAC Name2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H15F3N2O5S/c24-23(25,26)15-5-3-6-17(13-15)28-34(31,32)18-10-8-16(9-11-18)27-21(29)19-12-14-4-1-2-7-20(14)33-22(19)30/h1-13,28H,(H,27,29)
InChIKeyIJUCYMFFSLPWDK-UHFFFAOYSA-N
XLogP4.86
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 3514997
2-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]chromene-3-carboxamide
CID 1137148
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide (CID 2109013) is 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide?
The InChIKey is IJUCYMFFSLPWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N2O5S/c24-23(25,26)15-5-3-6-17(13-15)28-34(31,32)18-10-8-16(9-11-18)27-21(29)19-12-14-4-1-2-7-20(14)33-22(19)30/h1-13,28H,(H,27,29).
What are the key properties of 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide?
2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide has a molecular weight of 488.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]chromene-3-carboxamide is sourced from PubChem (CID 2109013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).