1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea

C15H14F2N2O3S — CID 141051820

IUPAC1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O3S/c16-13-7-6-12(10-14(13)17)23(21,22)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKeyJCBAKUJSTGXMBU-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.20
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea

1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea (PubChem CID 141051820) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea
PubChem CID141051820
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F2N2O3S/c16-13-7-6-12(10-14(13)17)23(21,22)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKeyJCBAKUJSTGXMBU-UHFFFAOYSA-N
XLogP2.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
3,4-difluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 4509651
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
1-(4,5-dichlorothiophen-2-yl)sulfonyl-3-(2-phenylethyl)urea
CID 141417325
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 60541307
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002
2-[3-[6-[[3-(carboxymethyl)phenyl]sulfonylcarbamoylamino]hexylcarbamoylsulfamoyl]phenyl]acetic acid
CID 67245179

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea (CID 141051820) is 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea?
The InChIKey is JCBAKUJSTGXMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-13-7-6-12(10-14(13)17)23(21,22)19-15(20)18-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,18,19,20).
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea?
1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea has a molecular weight of 340.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 141051820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).