1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea

C20H19FN4O4S — CID 66610693

IUPAC1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(F)cc1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C20H19FN4O4S/c1-29-19-9-4-15(21)11-18(19)25-30(27,28)17-7-5-16(6-8-17)24-20(26)23-13-14-3-2-10-22-12-14/h2-12,25H,13H2,1H3,(H2,23,24,26)
InChIKeyWPIRNWBEWNCYME-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.35
Rot. Bonds7

About 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea

1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea (PubChem CID 66610693) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
PubChem CID66610693
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(F)cc1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C20H19FN4O4S/c1-29-19-9-4-15(21)11-18(19)25-30(27,28)17-7-5-16(6-8-17)24-20(26)23-13-14-3-2-10-22-12-14/h2-12,25H,13H2,1H3,(H2,23,24,26)
InChIKeyWPIRNWBEWNCYME-UHFFFAOYSA-N
XLogP3.35
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea (CID 66610693) is 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea is COc1ccc(F)cc1NS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
The InChIKey is WPIRNWBEWNCYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-29-19-9-4-15(21)11-18(19)25-30(27,28)17-7-5-16(6-8-17)24-20(26)23-13-14-3-2-10-22-12-14/h2-12,25H,13H2,1H3,(H2,23,24,26).
What are the key properties of 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea?
1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea has a molecular weight of 430.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 66610693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).