1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea

C16H17FN2O4S — CID 54774396

IUPAC1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-23-14-6-4-13(5-7-14)19-16(20)18-10-11-24(21,22)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyRXSRCALHQQCSMZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.43
Rot. Bonds6

About 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea

1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea (PubChem CID 54774396) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
PubChem CID54774396
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H17FN2O4S/c1-23-14-6-4-13(5-7-14)19-16(20)18-10-11-24(21,22)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H2,18,19,20)
InChIKeyRXSRCALHQQCSMZ-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
N-[4-[2-(4-fluorophenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 52595243
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-(3,3-dimethylbutyl)-3-(4-methoxyphenyl)urea
CID 21361439
6-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]-2-methylquinoline-3-carboxamide
CID 46975783
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea (CID 54774396) is 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCCS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea?
The InChIKey is RXSRCALHQQCSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-23-14-6-4-13(5-7-14)19-16(20)18-10-11-24(21,22)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea?
1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea has a molecular weight of 352.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)sulfonylethyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 54774396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).