3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate

C56H61Cl3N12O15S9 — CID 158390121

IUPAC3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate
SMILESCC(C)CCn1nc(-c2cccs2)c(O)c(C(=O)Nc2cc(Cl)sc2S(N)(=O)=O)c1=O.CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3sc(Cl)cc3N2)c1=O.CCOC(=O)c1c(O)c(-c2cccs2)nn(CCC(C)C)c1=O.Nc1cc(Cl)sc1S(N)(=O)=O
InChIInChI=1S/C18H19ClN4O5S3.C18H17ClN4O4S3.C16H20N2O4S.C4H5ClN2O2S2/c1-9(2)5-6-23-17(26)13(15(24)14(22-23)11-4-3-7-29-11)16(25)21-10-8-12(19)30-18(10)31(20,27)28;1-9(2)5-6-23-17(25)13(15(24)14(21-23)11-4-3-7-28-11)16-20-10-8-12(19)29-18(10)30(26,27)22-16;1-4-22-16(21)12-14(19)13(11-6-5-9-23-11)17-18(15(12)20)8-7-10(2)3;5-3-1-2(6)4(10-3)11(7,8)9/h3-4,7-9,24H,5-6H2,1-2H3,(H,21,25)(H2,20,27,28);3-4,7-9,24H,5-6H2,1-2H3,(H,20,22);5-6,9-10,19H,4,7-8H2,1-3H3;1H,6H2,(H2,7,8,9)
InChIKeyGWVVOZRSUDJGSR-UHFFFAOYSA-N
MW1537.13 g/mol
LogP10.87
Rot. Bonds19

About 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate

3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate (PubChem CID 158390121) has the molecular formula C56H61Cl3N12O15S9 and a molecular weight of 1537.13 g/mol. Its IUPAC name is 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Name3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate
PubChem CID158390121
Molecular FormulaC56H61Cl3N12O15S9
Molecular Weight1537.13 g/mol
Exact Mass1534.09
IUPAC Name3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate
SMILESCC(C)CCn1nc(-c2cccs2)c(O)c(C(=O)Nc2cc(Cl)sc2S(N)(=O)=O)c1=O.CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3sc(Cl)cc3N2)c1=O.CCOC(=O)c1c(O)c(-c2cccs2)nn(CCC(C)C)c1=O.Nc1cc(Cl)sc1S(N)(=O)=O
InChIInChI=1S/C18H19ClN4O5S3.C18H17ClN4O4S3.C16H20N2O4S.C4H5ClN2O2S2/c1-9(2)5-6-23-17(26)13(15(24)14(22-23)11-4-3-7-29-11)16(25)21-10-8-12(19)30-18(10)31(20,27)28;1-9(2)5-6-23-17(25)13(15(24)14(21-23)11-4-3-7-28-11)16-20-10-8-12(19)29-18(10)30(26,27)22-16;1-4-22-16(21)12-14(19)13(11-6-5-9-23-11)17-18(15(12)20)8-7-10(2)3;5-3-1-2(6)4(10-3)11(7,8)9/h3-4,7-9,24H,5-6H2,1-2H3,(H,21,25)(H2,20,27,28);3-4,7-9,24H,5-6H2,1-2H3,(H,20,22);5-6,9-10,19H,4,7-8H2,1-3H3;1H,6H2,(H2,7,8,9)
InChIKeyGWVVOZRSUDJGSR-UHFFFAOYSA-N
XLogP10.87
TPSA425.63 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds19
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001537.13
LogP ≤ 510.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate?
The IUPAC name of 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate (CID 158390121) is 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate.
What is the SMILES notation for 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate?
The canonical SMILES for 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate is CC(C)CCn1nc(-c2cccs2)c(O)c(C(=O)Nc2cc(Cl)sc2S(N)(=O)=O)c1=O.CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3sc(Cl)cc3N2)c1=O.CCOC(=O)c1c(O)c(-c2cccs2)nn(CCC(C)C)c1=O.Nc1cc(Cl)sc1S(N)(=O)=O.
What is the InChIKey of 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate?
The InChIKey is GWVVOZRSUDJGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O5S3.C18H17ClN4O4S3.C16H20N2O4S.C4H5ClN2O2S2/c1-9(2)5-6-23-17(26)13(15(24)14(22-23)11-4-3-7-29-11)16(25)21-10-8-12(19)30-18(10)31(20,27)28;1-9(2)5-6-23-17(25)13(15(24)14(21-23)11-4-3-7-28-11)16-20-10-8-12(19)29-18(10)30(26,27)22-16;1-4-22-16(21)12-14(19)13(11-6-5-9-23-11)17-18(15(12)20)8-7-10(2)3;5-3-1-2(6)4(10-3)11(7,8)9/h3-4,7-9,24H,5-6H2,1-2H3,(H,21,25)(H2,20,27,28);3-4,7-9,24H,5-6H2,1-2H3,(H,20,22);5-6,9-10,19H,4,7-8H2,1-3H3;1H,6H2,(H2,7,8,9).
What are the key properties of 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate?
3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate has a molecular weight of 1537.13 g/mol, XLogP of 10.87, 19 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chlorothiophene-2-sulfonamide;4-(6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-yl)-5-hydroxy-2-(3-methylbutyl)-6-thiophen-2-ylpyridazin-3-one;N-(5-chloro-2-sulfamoylthiophen-3-yl)-5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxamide;ethyl 5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazine-4-carboxylate is sourced from PubChem (CID 158390121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).