1-(benzenesulfonamido)-3-(4-fluorophenyl)urea

C13H12FN3O3S — CID 2349598

IUPAC1-(benzenesulfonamido)-3-(4-fluorophenyl)urea
SMILESO=C(NNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O3S/c14-10-6-8-11(9-7-10)15-13(18)16-17-21(19,20)12-4-2-1-3-5-12/h1-9,17H,(H2,15,16,18)
InChIKeyIPPKUZLFMMJUIL-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.84
Rot. Bonds4

About 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea

1-(benzenesulfonamido)-3-(4-fluorophenyl)urea (PubChem CID 2349598) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(benzenesulfonamido)-3-(4-fluorophenyl)urea
PubChem CID2349598
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name1-(benzenesulfonamido)-3-(4-fluorophenyl)urea
SMILESO=C(NNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O3S/c14-10-6-8-11(9-7-10)15-13(18)16-17-21(19,20)12-4-2-1-3-5-12/h1-9,17H,(H2,15,16,18)
InChIKeyIPPKUZLFMMJUIL-UHFFFAOYSA-N
XLogP1.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.84
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-(benzenesulfonamido)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea (CID 2349598) is 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea is O=C(NNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea?
The InChIKey is IPPKUZLFMMJUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c14-10-6-8-11(9-7-10)15-13(18)16-17-21(19,20)12-4-2-1-3-5-12/h1-9,17H,(H2,15,16,18).
What are the key properties of 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea?
1-(benzenesulfonamido)-3-(4-fluorophenyl)urea has a molecular weight of 309.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonamido)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 2349598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).