(3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

C19H17ClN4O3S — CID 59486037

IUPAC(3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOc1cccc([C@H]2CN(c3cnccn3)S(=O)(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN4O3S/c1-27-17-4-2-3-14(11-17)18-13-23(19-12-21-9-10-22-19)28(25,26)24(18)16-7-5-15(20)6-8-16/h2-12,18H,13H2,1H3/t18-/m1/s1
InChIKeyCGCUJKLUNVBHGZ-GOSISDBHSA-N
MW416.89 g/mol
LogP3.45
Rot. Bonds4

About (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide

(3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (PubChem CID 59486037) has the molecular formula C19H17ClN4O3S and a molecular weight of 416.89 g/mol. Its IUPAC name is (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.

Molecular Properties

Compound Name(3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
PubChem CID59486037
Molecular FormulaC19H17ClN4O3S
Molecular Weight416.89 g/mol
Exact Mass416.07
IUPAC Name(3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
SMILESCOc1cccc([C@H]2CN(c3cnccn3)S(=O)(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN4O3S/c1-27-17-4-2-3-14(11-17)18-13-23(19-12-21-9-10-22-19)28(25,26)24(18)16-7-5-15(20)6-8-16/h2-12,18H,13H2,1H3/t18-/m1/s1
InChIKeyCGCUJKLUNVBHGZ-GOSISDBHSA-N
XLogP3.45
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 68704435
(4S)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidine-2-carboxylic acid
CID 141210116
(3S)-2-(4-chlorophenyl)-5-(isocyanomethyl)-3-(3-methoxyphenyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 59485684
methyl 3-[[(4S)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]methyl]-1,2-oxazole-5-carboxylate
CID 59485635
(4S,5S)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 59485763
3-[(4S)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propane-1-sulfonamide
CID 59485804
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 87671627
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485739
(3-chloro-4-pyridinyl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129350039
(4R)-1-(4-chlorophenyl)-4-(3-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833239
N-[(5S)-1-(4-chlorophenyl)-5-(3-pyrazin-2-yloxyphenyl)-4,5-dihydroimidazol-2-yl]methanesulfonamide
CID 59486057
[2-(4-chlorophenyl)pyrimidin-5-yl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92614062

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The IUPAC name of (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide (CID 59486037) is (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide.
What is the SMILES notation for (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The canonical SMILES for (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is COc1cccc([C@H]2CN(c3cnccn3)S(=O)(=O)N2c2ccc(Cl)cc2)c1.
What is the InChIKey of (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
The InChIKey is CGCUJKLUNVBHGZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17ClN4O3S/c1-27-17-4-2-3-14(11-17)18-13-23(19-12-21-9-10-22-19)28(25,26)24(18)16-7-5-15(20)6-8-16/h2-12,18H,13H2,1H3/t18-/m1/s1.
What are the key properties of (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide?
(3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide has a molecular weight of 416.89 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,5-thiadiazolidine 1,1-dioxide is sourced from PubChem (CID 59486037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).