N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide

C17H15F3N2O3S2 — CID 1275973

IUPACN-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3S2/c1-21-27(24,25)14-8-6-13(7-9-14)22-15(23)10-26-16(22)11-2-4-12(5-3-11)17(18,19)20/h2-9,16,21H,10H2,1H3/t16-/m1/s1
InChIKeyABMCBEAITAJKFV-MRXNPFEDSA-N
MW416.45 g/mol
LogP3.39
Rot. Bonds4

About N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide

N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide (PubChem CID 1275973) has the molecular formula C17H15F3N2O3S2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
PubChem CID1275973
Molecular FormulaC17H15F3N2O3S2
Molecular Weight416.45 g/mol
Exact Mass416.05
IUPAC NameN-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H15F3N2O3S2/c1-21-27(24,25)14-8-6-13(7-9-14)22-15(23)10-26-16(22)11-2-4-12(5-3-11)17(18,19)20/h2-9,16,21H,10H2,1H3/t16-/m1/s1
InChIKeyABMCBEAITAJKFV-MRXNPFEDSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 11842543
2,2-dimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 93126889
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25071743
4-methoxy-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804735
3-[4-(benzenesulfonyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25069515
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
CID 93126935
3-(4-methylsulfonylanilino)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 70682750
4-fluoro-N-[4-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 42804733
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide
CID 93126905
(3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93126918
(2S)-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93126927
N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125434

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide (CID 1275973) is N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide?
The InChIKey is ABMCBEAITAJKFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15F3N2O3S2/c1-21-27(24,25)14-8-6-13(7-9-14)22-15(23)10-26-16(22)11-2-4-12(5-3-11)17(18,19)20/h2-9,16,21H,10H2,1H3/t16-/m1/s1.
What are the key properties of N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide?
N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide has a molecular weight of 416.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 1275973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).