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

C17H17ClN2O3S2 — CID 1084397

IUPACN-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S2/c1-12(21)19-13-6-8-14(9-7-13)25(22,23)20-10-11-24-17(20)15-4-2-3-5-16(15)18/h2-9,17H,10-11H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyQVIQMERBPYXMKN-KRWDZBQOSA-N
MW396.92 g/mol
LogP3.73
Rot. Bonds4

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

N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (PubChem CID 1084397) has the molecular formula C17H17ClN2O3S2 and a molecular weight of 396.92 g/mol. Its IUPAC name is N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
PubChem CID1084397
Molecular FormulaC17H17ClN2O3S2
Molecular Weight396.92 g/mol
Exact Mass396.04
IUPAC NameN-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3S2/c1-12(21)19-13-6-8-14(9-7-13)25(22,23)20-10-11-24-17(20)15-4-2-3-5-16(15)18/h2-9,17H,10-11H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyQVIQMERBPYXMKN-KRWDZBQOSA-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-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 654431
2-(2-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 5143782
N-[4-[[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 3531101
N-[4-[[(2R)-2-(4-methylphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084396
(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
CID 7157484
N-[4-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]sulfonylphenyl]acetamide
CID 110657466
N-[4-[[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1026068
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 46498253
2-(2,4-dichlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23945588
3-(4-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3144179
N-[4-[(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide
CID 110750745
(2S)-2-(2-methoxyphenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 1362906

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide (CID 1084397) is N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
The InChIKey is QVIQMERBPYXMKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17ClN2O3S2/c1-12(21)19-13-6-8-14(9-7-13)25(22,23)20-10-11-24-17(20)15-4-2-3-5-16(15)18/h2-9,17H,10-11H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide?
N-[4-[[(2S)-2-(2-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-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 1084397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).