1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea

C16H18FN3O3S — CID 27871672

IUPAC1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESCCN(Cc1cccc(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18FN3O3S/c1-2-20(11-12-4-3-5-13(17)10-12)16(21)19-14-6-8-15(9-7-14)24(18,22)23/h3-10H,2,11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyVTSXPFXSXIHXQF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.53
Rot. Bonds5

About 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea

1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 27871672) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
PubChem CID27871672
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESCCN(Cc1cccc(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H18FN3O3S/c1-2-20(11-12-4-3-5-13(17)10-12)16(21)19-14-6-8-15(9-7-14)24(18,22)23/h3-10H,2,11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKeyVTSXPFXSXIHXQF-UHFFFAOYSA-N
XLogP2.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
CID 17443267
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194248
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
N-[4-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17403869
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
2-[[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785624

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea (CID 27871672) is 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea is CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is VTSXPFXSXIHXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-2-20(11-12-4-3-5-13(17)10-12)16(21)19-14-6-8-15(9-7-14)24(18,22)23/h3-10H,2,11H2,1H3,(H,19,21)(H2,18,22,23).
What are the key properties of 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 351.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27871672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).