4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

C19H17Cl2N3O4S2 — CID 161476283

IUPAC4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESO=C1C(Oc2ccc(Cl)cc2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H]
InChIInChI=1S/C19H15Cl2N3O4S2.H2/c20-12-1-6-16(15(21)11-12)28-17-7-9-24(18(17)25)13-2-4-14(5-3-13)30(26,27)23-19-22-8-10-29-19;/h1-6,8,10-11,17H,7,9H2,(H,22,23);1H
InChIKeyWDTHLQCWMJLWQY-UHFFFAOYSA-N
MW486.40 g/mol
LogP4.68
Rot. Bonds6

About 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen

4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (PubChem CID 161476283) has the molecular formula C19H17Cl2N3O4S2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
PubChem CID161476283
Molecular FormulaC19H17Cl2N3O4S2
Molecular Weight486.40 g/mol
Exact Mass485.00
IUPAC Name4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
SMILESO=C1C(Oc2ccc(Cl)cc2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H]
InChIInChI=1S/C19H15Cl2N3O4S2.H2/c20-12-1-6-16(15(21)11-12)28-17-7-9-24(18(17)25)13-2-4-14(5-3-13)30(26,27)23-19-22-8-10-29-19;/h1-6,8,10-11,17H,7,9H2,(H,22,23);1H
InChIKeyWDTHLQCWMJLWQY-UHFFFAOYSA-N
XLogP4.68
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(2,3-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215217
4-[3-(5,7-dichloroquinolin-8-yl)oxy-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159642068
molecular hydrogen;4-[2-oxo-3-(3-propan-2-ylphenoxy)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 160786597
[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(3-chlorophenyl)carbamate
CID 59466497
molecular hydrogen;[(3S)-2-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl] N-(2-chlorophenyl)carbamate
CID 159320601
4-[3-(4-imidazol-1-ylphenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159986561
4-[(3S)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158035543
4-[3-(4-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215082
4-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 158509244
4-[3-[(4-chlorophenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 159657641
4-[3-(3-cyanophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58215452
4-[2-oxo-3-[3-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 59465808

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen (CID 161476283) is 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is O=C1C(Oc2ccc(Cl)cc2Cl)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.[H][H].
What is the InChIKey of 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
The InChIKey is WDTHLQCWMJLWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S2.H2/c20-12-1-6-16(15(21)11-12)28-17-7-9-24(18(17)25)13-2-4-14(5-3-13)30(26,27)23-19-22-8-10-29-19;/h1-6,8,10-11,17H,7,9H2,(H,22,23);1H.
What are the key properties of 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen?
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen has a molecular weight of 486.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 161476283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).