1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

C23H20F3N3O3S — CID 90102395

IUPAC1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1
InChIInChI=1S/C23H20F3N3O3S/c24-23(25,26)16-7-4-8-18(13-16)27-22(30)28-21-14-19(33(31,32)29-17-9-10-17)11-12-20(21)15-5-2-1-3-6-15/h1-8,11-14,17,29H,9-10H2,(H2,27,28,30)
InChIKeyDVYNUVBTYJRDSF-UHFFFAOYSA-N
MW475.49 g/mol
LogP5.46
Rot. Bonds6

About 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 90102395) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID90102395
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC Name1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1
InChIInChI=1S/C23H20F3N3O3S/c24-23(25,26)16-7-4-8-18(13-16)27-22(30)28-21-14-19(33(31,32)29-17-9-10-17)11-12-20(21)15-5-2-1-3-6-15/h1-8,11-14,17,29H,9-10H2,(H2,27,28,30)
InChIKeyDVYNUVBTYJRDSF-UHFFFAOYSA-N
XLogP5.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.49
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Agi-6780
CID 71299339
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
CID 2812298
1-(3-Sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2812934
1-(3-Carbamimidoylphenyl)-3-[3-[(2,3,6-trifluorophenyl)methylsulfamoyl]phenyl]urea
CID 20872444
4-(3-Benzhydrylureido)Benzenesulfonamide
CID 27869350
4-(3-Biphenyl-2-ylureido)benzenesulfonamide
CID 51356010
1-(2-Propan-2-ylphenyl)-3-(3-sulfamoylphenyl)urea
CID 56836444
6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide
CID 135204721
2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
CID 142032479
N-ethyl-4-[({[3-(trifluoromethyl)phenyl]amino}carbonyl)amino]benzenesulfonamide
CID 2211952
1-[3-(Diethylsulfamoyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4094710
1-[4-[1-[(5-Fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea
CID 44529968

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 90102395) is 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1.
What is the InChIKey of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is DVYNUVBTYJRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c24-23(25,26)16-7-4-8-18(13-16)27-22(30)28-21-14-19(33(31,32)29-17-9-10-17)11-12-20(21)15-5-2-1-3-6-15/h1-8,11-14,17,29H,9-10H2,(H2,27,28,30).
What are the key properties of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 475.49 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 90102395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).