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

C15H10ClFN2O2S2 — CID 3544134

IUPAC4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2S2/c16-11-3-7-13(8-4-11)23(20,21)19-15-18-14(9-22-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19)
InChIKeyNDXNJTGGFNJOTM-UHFFFAOYSA-N
MW368.84 g/mol
LogP4.40
Rot. Bonds4

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

4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 3544134) has the molecular formula C15H10ClFN2O2S2 and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID3544134
Molecular FormulaC15H10ClFN2O2S2
Molecular Weight368.84 g/mol
Exact Mass367.99
IUPAC Name4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2S2/c16-11-3-7-13(8-4-11)23(20,21)19-15-18-14(9-22-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19)
InChIKeyNDXNJTGGFNJOTM-UHFFFAOYSA-N
XLogP4.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 54.40
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 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 3544134) is 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is NDXNJTGGFNJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S2/c16-11-3-7-13(8-4-11)23(20,21)19-15-18-14(9-22-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19).
What are the key properties of 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 368.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3544134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).