N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide

C18H19FN2O5S2 — CID 42271929

IUPACN-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O
InChIInChI=1S/C18H19FN2O5S2/c1-13-12-27(23,24)21(18(13)22)15-6-8-16(9-7-15)28(25,26)20-11-10-14-4-2-3-5-17(14)19/h2-9,13,20H,10-12H2,1H3/t13-/m0/s1
InChIKeyZVEKLRLSAVMRLY-ZDUSSCGKSA-N
MW426.49 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide

N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide (PubChem CID 42271929) has the molecular formula C18H19FN2O5S2 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide
PubChem CID42271929
Molecular FormulaC18H19FN2O5S2
Molecular Weight426.49 g/mol
Exact Mass426.07
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide
SMILESC[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O
InChIInChI=1S/C18H19FN2O5S2/c1-13-12-27(23,24)21(18(13)22)15-6-8-16(9-7-15)28(25,26)20-11-10-14-4-2-3-5-17(14)19/h2-9,13,20H,10-12H2,1H3/t13-/m0/s1
InChIKeyZVEKLRLSAVMRLY-ZDUSSCGKSA-N
XLogP1.66
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995687
N-[2-(3-methoxyphenyl)ethyl]-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide
CID 42328548
N-[2-(4-fluorophenyl)ethyl]-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005105
N-(2-methyl-2-piperidin-1-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004882
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
N-(2-ethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694695
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[2-(4-chlorophenyl)ethyl]-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005442
methyl 2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]benzoate
CID 22694712
N-[2-(4-chlorophenyl)ethyl]-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005803
N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694689

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide (CID 42271929) is N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide is C[C@H]1CS(=O)(=O)N(c2ccc(S(=O)(=O)NCCc3ccccc3F)cc2)C1=O.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide?
The InChIKey is ZVEKLRLSAVMRLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O5S2/c1-13-12-27(23,24)21(18(13)22)15-6-8-16(9-7-15)28(25,26)20-11-10-14-4-2-3-5-17(14)19/h2-9,13,20H,10-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide?
N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide has a molecular weight of 426.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzenesulfonamide is sourced from PubChem (CID 42271929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).