1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea

C23H17F3N4O3S — CID 73349407

IUPAC1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C23H17F3N4O3S/c24-23(25,26)15-6-11-19-20(12-13-27-21(19)14-15)30-34(32,33)18-9-7-17(8-10-18)29-22(31)28-16-4-2-1-3-5-16/h1-14H,(H,27,30)(H2,28,29,31)
InChIKeyJPCKFXOCVWDHDS-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.70
Rot. Bonds5

About 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea

1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea (PubChem CID 73349407) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea
PubChem CID73349407
Molecular FormulaC23H17F3N4O3S
Molecular Weight486.48 g/mol
Exact Mass486.10
IUPAC Name1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C23H17F3N4O3S/c24-23(25,26)15-6-11-19-20(12-13-27-21(19)14-15)30-34(32,33)18-9-7-17(8-10-18)29-22(31)28-16-4-2-1-3-5-16/h1-14H,(H,27,30)(H2,28,29,31)
InChIKeyJPCKFXOCVWDHDS-UHFFFAOYSA-N
XLogP5.70
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]sulfonyl-3-phenylurea
CID 71530749
N-pyridin-2-yl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24538181
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
1-[4-[[2,5-bis(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 88907311
N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 164852738
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10311292
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea (CID 73349407) is 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea?
The InChIKey is JPCKFXOCVWDHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c24-23(25,26)15-6-11-19-20(12-13-27-21(19)14-15)30-34(32,33)18-9-7-17(8-10-18)29-22(31)28-16-4-2-1-3-5-16/h1-14H,(H,27,30)(H2,28,29,31).
What are the key properties of 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea?
1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea has a molecular weight of 486.48 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[[7-(trifluoromethyl)quinolin-4-yl]sulfamoyl]phenyl]urea is sourced from PubChem (CID 73349407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).