N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide

C21H14ClFN2O3S2 — CID 71716935

IUPACN-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)s1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1
InChIInChI=1S/C21H14ClFN2O3S2/c22-20-13-24-21(29-20)25-30(26,27)15-10-11-19(17(23)12-15)28-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-13H,(H,24,25)
InChIKeyDWRUSYXNROPBHX-UHFFFAOYSA-N
MW460.94 g/mol
LogP6.20
Rot. Bonds6

About N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide

N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71716935) has the molecular formula C21H14ClFN2O3S2 and a molecular weight of 460.94 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71716935
Molecular FormulaC21H14ClFN2O3S2
Molecular Weight460.94 g/mol
Exact Mass460.01
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Cl)s1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1
InChIInChI=1S/C21H14ClFN2O3S2/c22-20-13-24-21(29-20)25-30(26,27)15-10-11-19(17(23)12-15)28-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-13H,(H,24,25)
InChIKeyDWRUSYXNROPBHX-UHFFFAOYSA-N
XLogP6.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.94
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide (CID 71716935) is N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide is O=S(=O)(Nc1ncc(Cl)s1)c1ccc(Oc2ccccc2-c2ccccc2)c(F)c1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is DWRUSYXNROPBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2O3S2/c22-20-13-24-21(29-20)25-30(26,27)15-10-11-19(17(23)12-15)28-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-13H,(H,24,25).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide?
N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 460.94 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-3-fluoro-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71716935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).