1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea

C15H15FN2O4S — CID 110774461

IUPAC1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-10-3-6-12(7-4-10)23(20,21)18-15(19)17-11-5-8-14(22-2)13(16)9-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZDKBYCIRXXMGQA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea

1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 110774461) has the molecular formula C15H15FN2O4S and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID110774461
Molecular FormulaC15H15FN2O4S
Molecular Weight338.36 g/mol
Exact Mass338.07
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1F
InChIInChI=1S/C15H15FN2O4S/c1-10-3-6-12(7-4-10)23(20,21)18-15(19)17-11-5-8-14(22-2)13(16)9-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZDKBYCIRXXMGQA-UHFFFAOYSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 19966637
1-(4-methylphenyl)sulfonyl-3-[3-[(4-methylphenyl)sulfonylcarbamoylamino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
CID 4667743
1-(4-methylphenyl)sulfonyl-3-[4-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonylphenyl]urea
CID 19387730
1-(4-hydroxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 5268819
1-(4-bromo-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 2375417
1-(4-methylphenyl)sulfonyl-3-(2-oxobenzimidazol-5-yl)urea
CID 78269792
[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] acetate
CID 69350721
[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phosphonic acid
CID 90890500
dimethyl 4-[2-(difluoromethoxy)-5-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4606743
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea (CID 110774461) is 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea is COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is ZDKBYCIRXXMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4S/c1-10-3-6-12(7-4-10)23(20,21)18-15(19)17-11-5-8-14(22-2)13(16)9-11/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 338.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110774461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).