1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

C20H19FN4O3S — CID 135231176

IUPAC1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN4O3S/c21-17-3-1-16(2-4-17)14-29(27,28)25-19-7-5-18(6-8-19)24-20(26)23-13-15-9-11-22-12-10-15/h1-12,25H,13-14H2,(H2,23,24,26)
InChIKeyJMRWRUNAEMQFGW-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.48
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea

1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea (PubChem CID 135231176) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
PubChem CID135231176
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H19FN4O3S/c21-17-3-1-16(2-4-17)14-29(27,28)25-19-7-5-18(6-8-19)24-20(26)23-13-15-9-11-22-12-10-15/h1-12,25H,13-14H2,(H2,23,24,26)
InChIKeyJMRWRUNAEMQFGW-UHFFFAOYSA-N
XLogP3.48
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
1-(pyridin-4-ylmethyl)-3-[4-[[2-(trifluoromethyl)phenyl]methylsulfonylamino]phenyl]urea
CID 171778522
1-pyridin-4-yl-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 53498818
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083
1-[4-[(4-fluorophenyl)methyl-[(4-phenylphenyl)methyl]sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 171778448
1-(pyridin-4-ylmethyl)-3-(4-sulfanylphenyl)urea
CID 135231096
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
1-[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]-3-(pyridin-4-ylmethyl)urea
CID 163372167
1-[4-[(3-bromophenyl)methyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 171778417
1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea (CID 135231176) is 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
The InChIKey is JMRWRUNAEMQFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-17-3-1-16(2-4-17)14-29(27,28)25-19-7-5-18(6-8-19)24-20(26)23-13-15-9-11-22-12-10-15/h1-12,25H,13-14H2,(H2,23,24,26).
What are the key properties of 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea?
1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea has a molecular weight of 414.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 135231176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).