1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea

C20H16F3N3O4S — CID 25348337

IUPAC1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O4S/c21-20(22,23)30-17-11-4-5-12-18(17)31(28,29)26-16-10-6-9-15(13-16)25-19(27)24-14-7-2-1-3-8-14/h1-13,26H,(H2,24,25,27)
InChIKeyIIGGPKQBVGUGNA-UHFFFAOYSA-N
MW451.43 g/mol
LogP5.03
Rot. Bonds6

About 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea

1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea (PubChem CID 25348337) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
PubChem CID25348337
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC Name1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H16F3N3O4S/c21-20(22,23)30-17-11-4-5-12-18(17)31(28,29)26-16-10-6-9-15(13-16)25-19(27)24-14-7-2-1-3-8-14/h1-13,26H,(H2,24,25,27)
InChIKeyIIGGPKQBVGUGNA-UHFFFAOYSA-N
XLogP5.03
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.43
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoic acid
CID 18274848
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 138041549
1-[3-[(2-nitrophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 31075653
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31064984
methyl 2-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzoate
CID 3565491
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 38944467

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea?
The IUPAC name of 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea (CID 25348337) is 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea is O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea?
The InChIKey is IIGGPKQBVGUGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c21-20(22,23)30-17-11-4-5-12-18(17)31(28,29)26-16-10-6-9-15(13-16)25-19(27)24-14-7-2-1-3-8-14/h1-13,26H,(H2,24,25,27).
What are the key properties of 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea?
1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea has a molecular weight of 451.43 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]urea is sourced from PubChem (CID 25348337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).