4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline

C16H18N2O3S2 — CID 1373902

IUPAC4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
SMILESCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-21-14-6-8-15(9-7-14)23(19,20)18-10-11-22-16(18)12-2-4-13(17)5-3-12/h2-9,16H,10-11,17H2,1H3/t16-/m1/s1
InChIKeyKCJYQYRMWMIIPG-MRXNPFEDSA-N
MW350.47 g/mol
LogP2.71
Rot. Bonds4

About 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline

4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline (PubChem CID 1373902) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline.

Molecular Properties

Compound Name4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
PubChem CID1373902
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline
SMILESCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(N)cc2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-21-14-6-8-15(9-7-14)23(19,20)18-10-11-22-16(18)12-2-4-13(17)5-3-12/h2-9,16H,10-11,17H2,1H3/t16-/m1/s1
InChIKeyKCJYQYRMWMIIPG-MRXNPFEDSA-N
XLogP2.71
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2858670
3-(3,4-dichlorophenyl)sulfonyl-2-(4-methoxyphenyl)-1,3-thiazolidine
CID 3640975
(2R)-2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1143496
(2S)-2-(furan-2-yl)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1084382
(2R)-2-(4-bromophenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1354636
2-(3,4-dimethoxyphenyl)-3-(4-phenoxyphenyl)sulfonyl-1,3-thiazolidine
CID 122345675
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
(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
(2S)-2-(3,4-dimethoxyphenyl)-3-naphthalen-2-ylsulfonyl-1,3-thiazolidine
CID 1111413
2-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 3144172
(2R)-2-(3-bromo-4-methoxyphenyl)-3-(4-ethoxyphenyl)sulfonyl-1,3-thiazolidine
CID 1254845

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
The IUPAC name of 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline (CID 1373902) is 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline.
What is the SMILES notation for 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
The canonical SMILES for 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline is COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
The InChIKey is KCJYQYRMWMIIPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-21-14-6-8-15(9-7-14)23(19,20)18-10-11-22-16(18)12-2-4-13(17)5-3-12/h2-9,16H,10-11,17H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline?
4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline has a molecular weight of 350.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(4-methoxyphenyl)sulfonyl-1,3-thiazolidin-2-yl]aniline is sourced from PubChem (CID 1373902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).