1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea

C14H14FN3O3S — CID 10829747

IUPAC1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FN3O3S/c1-10-2-8-13(9-3-10)22(20,21)18-17-14(19)16-12-6-4-11(15)5-7-12/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyFWJCFUWZTNGAKO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea

1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea (PubChem CID 10829747) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea
PubChem CID10829747
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC Name1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea
SMILESCc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FN3O3S/c1-10-2-8-13(9-3-10)22(20,21)18-17-14(19)16-12-6-4-11(15)5-7-12/h2-9,18H,1H3,(H2,16,17,19)
InChIKeyFWJCFUWZTNGAKO-UHFFFAOYSA-N
XLogP2.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea (CID 10829747) is 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea is Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
The InChIKey is FWJCFUWZTNGAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-10-2-8-13(9-3-10)22(20,21)18-17-14(19)16-12-6-4-11(15)5-7-12/h2-9,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea?
1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea has a molecular weight of 323.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]urea is sourced from PubChem (CID 10829747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).