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

C19H22ClNO3S2 — CID 40548155

IUPAC(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3S2/c1-2-3-12-24-17-7-9-18(10-8-17)26(22,23)21-11-13-25-19(21)15-5-4-6-16(20)14-15/h4-10,14,19H,2-3,11-13H2,1H3/t19-/m1/s1
InChIKeyOQVHVOMEFINSSY-LJQANCHMSA-N
MW411.98 g/mol
LogP4.96
Rot. Bonds7

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

(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine (PubChem CID 40548155) has the molecular formula C19H22ClNO3S2 and a molecular weight of 411.98 g/mol. Its IUPAC name is (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
PubChem CID40548155
Molecular FormulaC19H22ClNO3S2
Molecular Weight411.98 g/mol
Exact Mass411.07
IUPAC Name(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine
SMILESCCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3S2/c1-2-3-12-24-17-7-9-18(10-8-17)26(22,23)21-11-13-25-19(21)15-5-4-6-16(20)14-15/h4-10,14,19H,2-3,11-13H2,1H3/t19-/m1/s1
InChIKeyOQVHVOMEFINSSY-LJQANCHMSA-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

(2S)-3-(4-butoxyphenyl)sulfonyl-2-(2-chlorophenyl)-1,3-thiazolidine
CID 7157484
(2S)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316900
(2R)-2-(3-chlorophenyl)-3-(4-iodophenyl)sulfonyl-1,3-thiazolidine
CID 41316899
(2R)-2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 7574021
2-(3-chlorophenyl)-3-(4-phenylphenyl)sulfonyl-1,3-thiazolidine
CID 23938405
(2S)-2-(3-bromo-4-methoxyphenyl)-3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine
CID 40837370
3-(4-butoxyphenyl)sulfonyl-2-(4-nitrophenyl)-1,3-thiazolidine
CID 3382694
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
2-(3-chlorophenyl)-3-(4-methyl-3,5-dinitrophenyl)sulfonyl-1,3-thiazolidine
CID 45076759
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
methyl 3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
CID 3729057

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine?
The IUPAC name of (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine (CID 40548155) is (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine.
What is the SMILES notation for (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine?
The canonical SMILES for (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine is CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine?
The InChIKey is OQVHVOMEFINSSY-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22ClNO3S2/c1-2-3-12-24-17-7-9-18(10-8-17)26(22,23)21-11-13-25-19(21)15-5-4-6-16(20)14-15/h4-10,14,19H,2-3,11-13H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine?
(2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-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 (2R)-3-(4-butoxyphenyl)sulfonyl-2-(3-chlorophenyl)-1,3-thiazolidine is sourced from PubChem (CID 40548155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).