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

C16H11F3N2O2S2 — CID 9110421

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nccs2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)12-3-7-14(8-4-12)25(22,23)21-13-5-1-11(2-6-13)15-20-9-10-24-15/h1-10,21H
InChIKeyMYGRFEUFMXDQOH-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.63
Rot. Bonds4

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

N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 9110421) has the molecular formula C16H11F3N2O2S2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID9110421
Molecular FormulaC16H11F3N2O2S2
Molecular Weight384.40 g/mol
Exact Mass384.02
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2nccs2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)12-3-7-14(8-4-12)25(22,23)21-13-5-1-11(2-6-13)15-20-9-10-24-15/h1-10,21H
InChIKeyMYGRFEUFMXDQOH-UHFFFAOYSA-N
XLogP4.63
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 9110421) is N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-c2nccs2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MYGRFEUFMXDQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S2/c17-16(18,19)12-3-7-14(8-4-12)25(22,23)21-13-5-1-11(2-6-13)15-20-9-10-24-15/h1-10,21H.
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 9110421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).