1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

C14H12F3N3O3S — CID 2813478

IUPAC1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
InChIKeyPTTQRLLAHZHAEV-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.00
Rot. Bonds3

About 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 2813478) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID2813478
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21)
InChIKeyPTTQRLLAHZHAEV-UHFFFAOYSA-N
XLogP3.00
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
4-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 108896282
1-(2-sulfamoylethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 60799942
1-[4-[methyl-[2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 10289716
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
CID 91742405
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
1-[4-(methylsulfonylmethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51130123
3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 110678136
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 19433217
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 2080031

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 2813478) is 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is PTTQRLLAHZHAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 359.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 2813478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).