1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone

C17H17NO3S2 — CID 146615097

IUPAC1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO3S2/c1-13(19)17-18(11-12-22-17)23(20,21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKeyRVUWDJKNVJWDQT-KRWDZBQOSA-N
MW347.46 g/mol
LogP3.01
Rot. Bonds4

About 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone

1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone (PubChem CID 146615097) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
PubChem CID146615097
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC Name1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17NO3S2/c1-13(19)17-18(11-12-22-17)23(20,21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1
InChIKeyRVUWDJKNVJWDQT-KRWDZBQOSA-N
XLogP3.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-2-phenyl-4-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]butanamide
CID 167544763
N-[(2-methoxyphenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217272
N-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68622983
N-[(2,6-difluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide;molecular hydrogen
CID 167553021
(2S)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylic acid
CID 799925
3-phenyl-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]-5-piperidin-1-ylpentan-1-one
CID 167553183
3-(4-fluorophenyl)-5-hydroxy-1-[3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]pentan-1-one
CID 167542891
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 1362906
(2S)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 10217804
N-[(2-chloro-4-fluorophenyl)methyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 68621358
(2S)-N-[(1R,2Z,4Z)-2-(methylideneamino)-1-phenylhexa-2,4-dienyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 88999303
N-[3-chloro-1-(4-fluorophenyl)propyl]-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine-2-carboxamide
CID 155601125

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone (CID 146615097) is 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone is CC(=O)[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone?
The InChIKey is RVUWDJKNVJWDQT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-13(19)17-18(11-12-22-17)23(20,21)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone?
1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidin-2-yl]ethanone is sourced from PubChem (CID 146615097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).