1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea

C17H14FN3O3S2 — CID 2322189

IUPAC1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H14FN3O3S2/c18-12-7-9-13(10-8-12)19-17(22)20-14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-11,21H,(H2,19,20,22)
InChIKeyRPBCOQJJOOLJPM-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea

1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (PubChem CID 2322189) has the molecular formula C17H14FN3O3S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
PubChem CID2322189
Molecular FormulaC17H14FN3O3S2
Molecular Weight391.45 g/mol
Exact Mass391.05
IUPAC Name1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H14FN3O3S2/c18-12-7-9-13(10-8-12)19-17(22)20-14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-11,21H,(H2,19,20,22)
InChIKeyRPBCOQJJOOLJPM-UHFFFAOYSA-N
XLogP4.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyl-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322191
N-[2-({[(4-chlorophenyl)amino]carbonyl}amino)phenyl]-2-thiophenesulfonamide
CID 2322195
1-(2-Chloroethyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2344104
1-(3-Chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322183
1-(3,4-Dichlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
CID 2322197
1-Phenyl-3-(4-thiophen-2-ylsulfanylphenyl)urea
CID 155551866
1,1-dioxo-2-phenyl-4H-thieno[3,4-e][1,2,4]thiadiazin-3-one
CID 476264
2-(4-fluorophenyl)-1,1-dioxo-4H-thieno[3,4-e][1,2,4]thiadiazin-3-one
CID 476268
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 4827553
(E)-N-[[4-[(2,5-difluorophenyl)sulfamoyl]phenyl]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5937040
1-(Methyl-oxo-thiophen-2-yl-lambda6-sulfanylidene)-3-phenylurea
CID 2821159
1-(Methyl-oxo-thiophen-3-yl-lambda6-sulfanylidene)-3-phenylurea
CID 2821192

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea (CID 2322189) is 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
The InChIKey is RPBCOQJJOOLJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S2/c18-12-7-9-13(10-8-12)19-17(22)20-14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-11,21H,(H2,19,20,22).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea?
1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea has a molecular weight of 391.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea is sourced from PubChem (CID 2322189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).