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

C14H14FN3O3S — CID 108898468

IUPAC1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3O3S/c15-11-3-1-2-10(8-11)9-17-14(19)18-12-4-6-13(7-5-12)22(16,20)21/h1-8H,9H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyISSGOPCMAQCKJT-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.79
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 108898468) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
PubChem CID108898468
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN3O3S/c15-11-3-1-2-10(8-11)9-17-14(19)18-12-4-6-13(7-5-12)22(16,20)21/h1-8H,9H2,(H2,16,20,21)(H2,17,18,19)
InChIKeyISSGOPCMAQCKJT-UHFFFAOYSA-N
XLogP1.79
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898098
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185
1-[(3-fluorophenyl)methyl]-3-(4-nitrophenyl)urea
CID 108898480
1-[(3-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 3444082
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3-fluorophenyl)acetate
CID 8589912
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27871672
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508692
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
CID 18276908
1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 108886735

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea (CID 108898468) is 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is ISSGOPCMAQCKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c15-11-3-1-2-10(8-11)9-17-14(19)18-12-4-6-13(7-5-12)22(16,20)21/h1-8H,9H2,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea?
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 323.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 108898468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).