N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide

C17H17ClN2O3S2 — CID 654431

IUPACN-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3S2/c1-12(21)19-15-6-8-16(9-7-15)25(22,23)20-10-11-24-17(20)13-2-4-14(18)5-3-13/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyOKYLPGGTLCEBKE-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.73
Rot. Bonds4

About N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide

N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (PubChem CID 654431) has the molecular formula C17H17ClN2O3S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
PubChem CID654431
Molecular FormulaC17H17ClN2O3S2
Molecular Weight396.92 g/mol
Exact Mass396.04
IUPAC NameN-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClN2O3S2/c1-12(21)19-15-6-8-16(9-7-15)25(22,23)20-10-11-24-17(20)13-2-4-14(18)5-3-13/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyOKYLPGGTLCEBKE-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084396
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084397
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
CID 6991011
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
CID 122329642
(2S)-2-(4-chlorophenyl)-3-(4-methyl-3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 7409650
4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,2-oxazole
CID 122329632
N-[4-[[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 3531101
3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
CID 3640975
(2S)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine-2-carbohydrazide
CID 6930227

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (CID 654431) is N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The InChIKey is OKYLPGGTLCEBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S2/c1-12(21)19-15-6-8-16(9-7-15)25(22,23)20-10-11-24-17(20)13-2-4-14(18)5-3-13/h2-9,17H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide has a molecular weight of 396.92 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 654431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).