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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Related Compounds

1-(3-Pyridinylmethyl)-3-[4-[[2-(trifluoromethoxy)phenyl]sulfonyl]phenyl]urea
CID 56929624
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
1-[4-[[2-Methoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 66610094
1-(Pyridin-3-ylmethyl)-3-[4-[3-(trifluoromethoxy)phenyl]sulfonylphenyl]urea
CID 66611098
3-{4-[(2-Fluoro-3-methoxybenzene)sulfonyl]phenyl}-1-(pyridin-3-ylmethyl)urea
CID 66611206
1-[4-[[2-(Difluoromethoxy)phenyl]sulfamoyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 89845328
N-{4-[(2-methoxyphenyl)sulfamoyl]phenyl}pyridine-4-carboxamide
CID 1078659
2-[4-(phenylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
CID 1243342
2-(4-{[(4-methylphenyl)amino]sulfonyl}phenoxy)-N-(3-pyridinylmethyl)acetamide
CID 2240603
2-(4-{[(2-methylphenyl)amino]sulfonyl}phenoxy)-N-(3-pyridinylmethyl)acetamide
CID 2711914
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3236903
2,5-difluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)-2-(pyridin-3-yl)ethyl)benzenesulfonamide
CID 3237833

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).