1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea

C15H15FN2O3S — CID 845918

IUPAC1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O3S/c1-11-2-8-14(9-3-11)22(20,21)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyQBVSXHARDYFNAT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.32
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea

1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 845918) has the molecular formula C15H15FN2O3S and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID845918
Molecular FormulaC15H15FN2O3S
Molecular Weight322.36 g/mol
Exact Mass322.08
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O3S/c1-11-2-8-14(9-3-11)22(20,21)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyQBVSXHARDYFNAT-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea (CID 845918) is 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is QBVSXHARDYFNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3S/c1-11-2-8-14(9-3-11)22(20,21)18-15(19)17-10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea?
1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 322.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 845918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).