N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C15H11FN2O2S2 — CID 71461453

IUPACN-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccccc1
InChIInChI=1S/C15H11FN2O2S2/c16-13-9-5-4-8-12(13)14-10-21-15(17-14)18-22(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)
InChIKeyDFPOEWBQYSMTBJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.75
Rot. Bonds4

About N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 71461453) has the molecular formula C15H11FN2O2S2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID71461453
Molecular FormulaC15H11FN2O2S2
Molecular Weight334.40 g/mol
Exact Mass334.02
IUPAC NameN-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccccc1
InChIInChI=1S/C15H11FN2O2S2/c16-13-9-5-4-8-12(13)14-10-21-15(17-14)18-22(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18)
InChIKeyDFPOEWBQYSMTBJ-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 71461453) is N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccccc2F)cs1)c1ccccc1.
What is the InChIKey of N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is DFPOEWBQYSMTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S2/c16-13-9-5-4-8-12(13)14-10-21-15(17-14)18-22(19,20)11-6-2-1-3-7-11/h1-10H,(H,17,18).
What are the key properties of N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 71461453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).