(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine

C19H22ClNO3S2 — CID 7157484

IUPAC(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3S2/c1-2-3-13-24-15-8-10-16(11-9-15)26(22,23)21-12-14-25-19(21)17-6-4-5-7-18(17)20/h4-11,19H,2-3,12-14H2,1H3/t19-/m0/s1
InChIKeyGRYMCBPYSMJGJB-IBGZPJMESA-N
MW411.98 g/mol
LogP4.96
Rot. Bonds7

About (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine

(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine (PubChem CID 7157484) has the molecular formula C19H22ClNO3S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
PubChem CID7157484
Molecular FormulaC19H22ClNO3S2
Molecular Weight411.98 g/mol
Exact Mass411.07
IUPAC Name(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO3S2/c1-2-3-13-24-15-8-10-16(11-9-15)26(22,23)21-12-14-25-19(21)17-6-4-5-7-18(17)20/h4-11,19H,2-3,12-14H2,1H3/t19-/m0/s1
InChIKeyGRYMCBPYSMJGJB-IBGZPJMESA-N
XLogP4.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
CID 40548155
(2S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)sulfonyl-1,3-thiazolidine
CID 7014418
2-(2-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 5143782
N-[4-[[(2S)-2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]phenyl]acetamide
CID 1084397
3-(4-butoxyphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3382694
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine
CID 40837370
methyl 3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
CID 3729057
2-(2-chlorophenyl)-3-(3-nitrophenyl)sulfonyl-1,3-thiazolidine
CID 46498253
3-(4-ethylphenyl)sulfonyl-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 3302390
(2S)-2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1038354
2-(1,2-dihydroacenaphthylen-5-yl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 2876838
3-(4-ethylphenyl)sulfonyl-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine
CID 4122599

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine?
The IUPAC name of (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine (CID 7157484) is (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine?
The canonical SMILES for (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine is CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1.
What is the InChIKey of (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine?
The InChIKey is GRYMCBPYSMJGJB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22ClNO3S2/c1-2-3-13-24-15-8-10-16(11-9-15)26(22,23)21-12-14-25-19(21)17-6-4-5-7-18(17)20/h4-11,19H,2-3,12-14H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine?
(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine has a molecular weight of 411.98 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine is sourced from PubChem (CID 7157484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).