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

C15H11F3N2O2S3 — CID 2738761

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2S3/c16-15(17,18)10-3-1-4-12(7-10)25(21,22)19-8-11-9-24-14(20-11)13-5-2-6-23-13/h1-7,9,19H,8H2
InChIKeyFVLPDXODYOPOQZ-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.37
Rot. Bonds5

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

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 2738761) has the molecular formula C15H11F3N2O2S3 and a molecular weight of 404.46 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID2738761
Molecular FormulaC15H11F3N2O2S3
Molecular Weight404.46 g/mol
Exact Mass403.99
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2S3/c16-15(17,18)10-3-1-4-12(7-10)25(21,22)19-8-11-9-24-14(20-11)13-5-2-6-23-13/h1-7,9,19H,8H2
InChIKeyFVLPDXODYOPOQZ-UHFFFAOYSA-N
XLogP4.37
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 2738761) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FVLPDXODYOPOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S3/c16-15(17,18)10-3-1-4-12(7-10)25(21,22)19-8-11-9-24-14(20-11)13-5-2-6-23-13/h1-7,9,19H,8H2.
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 404.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2738761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).