N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide

C16H10BrF3N2O2S2 — CID 167475962

IUPACN-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1C(F)F)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H10BrF3N2O2S2/c17-10-3-6-13(12(7-10)15(19)20)22-26(23,24)14-8-21-16(25-14)9-1-4-11(18)5-2-9/h1-8,15,22H
InChIKeySTCGMWAFHPVIDN-UHFFFAOYSA-N
MW463.30 g/mol
LogP5.45
Rot. Bonds5

About N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide

N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 167475962) has the molecular formula C16H10BrF3N2O2S2 and a molecular weight of 463.30 g/mol. Its IUPAC name is N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
PubChem CID167475962
Molecular FormulaC16H10BrF3N2O2S2
Molecular Weight463.30 g/mol
Exact Mass461.93
IUPAC NameN-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1C(F)F)c1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H10BrF3N2O2S2/c17-10-3-6-13(12(7-10)15(19)20)22-26(23,24)14-8-21-16(25-14)9-1-4-11(18)5-2-9/h1-8,15,22H
InChIKeySTCGMWAFHPVIDN-UHFFFAOYSA-N
XLogP5.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.30
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide (CID 167475962) is N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1C(F)F)c1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is STCGMWAFHPVIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2O2S2/c17-10-3-6-13(12(7-10)15(19)20)22-26(23,24)14-8-21-16(25-14)9-1-4-11(18)5-2-9/h1-8,15,22H.
What are the key properties of N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide?
N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 463.30 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(difluoromethyl)phenyl]-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167475962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).