N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide

C17H14F3N3O4S3 — CID 66609774

IUPACN-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)c1ccccc1
InChIInChI=1S/C17H14F3N3O4S3/c18-17(19,20)30(26,27)22-11-16-21-10-15(28-16)12-6-8-13(9-7-12)23-29(24,25)14-4-2-1-3-5-14/h1-10,22-23H,11H2
InChIKeyWPQYFKVFTXKNIH-UHFFFAOYSA-N
MW477.51 g/mol
LogP3.55
Rot. Bonds7

About N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide

N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide (PubChem CID 66609774) has the molecular formula C17H14F3N3O4S3 and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide
PubChem CID66609774
Molecular FormulaC17H14F3N3O4S3
Molecular Weight477.51 g/mol
Exact Mass477.01
IUPAC NameN-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)c1ccccc1
InChIInChI=1S/C17H14F3N3O4S3/c18-17(19,20)30(26,27)22-11-16-21-10-15(28-16)12-6-8-13(9-7-12)23-29(24,25)14-4-2-1-3-5-14/h1-10,22-23H,11H2
InChIKeyWPQYFKVFTXKNIH-UHFFFAOYSA-N
XLogP3.55
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide (CID 66609774) is N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide?
The InChIKey is WPQYFKVFTXKNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4S3/c18-17(19,20)30(26,27)22-11-16-21-10-15(28-16)12-6-8-13(9-7-12)23-29(24,25)14-4-2-1-3-5-14/h1-10,22-23H,11H2.
What are the key properties of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide?
N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide has a molecular weight of 477.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 66609774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).