1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea

C78H61Cl5N22O16S8 — CID 158763961

IUPAC1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea
SMILESCNc1cccc(C2=NN(c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)C(=O)C2)c1.CNc1cccc(C2=NN(c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)C(=O)C2)c1.O=C(Nc1ccc(N2N=C(c3ccccc3)CC2=O)nn1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1cnc(N2N=C(c3ccccc3)CC2=O)cn1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H17Cl2N5O4S2.C21H18ClN5O4S2.2C18H13ClN6O4S2/c1-24-13-4-2-3-12(9-13)16-11-19(29)28(26-16)17-6-5-14(10-15(17)22)25-21(30)27-34(31,32)20-8-7-18(23)33-20;1-23-15-4-2-3-13(11-15)17-12-19(28)27(25-17)16-7-5-14(6-8-16)24-21(29)26-33(30,31)20-10-9-18(22)32-20;19-13-6-9-17(30-13)31(28,29)24-18(27)20-14-7-8-15(22-21-14)25-16(26)10-12(23-25)11-4-2-1-3-5-11;19-13-6-7-17(30-13)31(28,29)24-18(27)22-14-9-21-15(10-20-14)25-16(26)8-12(23-25)11-4-2-1-3-5-11/h2-10,24H,11H2,1H3,(H2,25,27,30);2-11,23H,12H2,1H3,(H2,24,26,29);1-9H,10H2,(H2,20,21,24,27);1-7,9-10H,8H2,(H2,20,22,24,27)
InChIKeyIPAGWVARIAEKHB-UHFFFAOYSA-N
MW1996.28 g/mol
LogP14.53
Rot. Bonds22

About 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea

1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea (PubChem CID 158763961) has the molecular formula C78H61Cl5N22O16S8 and a molecular weight of 1996.28 g/mol. Its IUPAC name is 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea
PubChem CID158763961
Molecular FormulaC78H61Cl5N22O16S8
Molecular Weight1996.28 g/mol
Exact Mass1992.08
IUPAC Name1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea
SMILESCNc1cccc(C2=NN(c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)C(=O)C2)c1.CNc1cccc(C2=NN(c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)C(=O)C2)c1.O=C(Nc1ccc(N2N=C(c3ccccc3)CC2=O)nn1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1cnc(N2N=C(c3ccccc3)CC2=O)cn1)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C21H17Cl2N5O4S2.C21H18ClN5O4S2.2C18H13ClN6O4S2/c1-24-13-4-2-3-12(9-13)16-11-19(29)28(26-16)17-6-5-14(10-15(17)22)25-21(30)27-34(31,32)20-8-7-18(23)33-20;1-23-15-4-2-3-13(11-15)17-12-19(28)27(25-17)16-7-5-14(6-8-16)24-21(29)26-33(30,31)20-10-9-18(22)32-20;19-13-6-9-17(30-13)31(28,29)24-18(27)20-14-7-8-15(22-21-14)25-16(26)10-12(23-25)11-4-2-1-3-5-11;19-13-6-7-17(30-13)31(28,29)24-18(27)22-14-9-21-15(10-20-14)25-16(26)8-12(23-25)11-4-2-1-3-5-11/h2-10,24H,11H2,1H3,(H2,25,27,30);2-11,23H,12H2,1H3,(H2,24,26,29);1-9H,10H2,(H2,20,21,24,27);1-7,9-10H,8H2,(H2,20,22,24,27)
InChIKeyIPAGWVARIAEKHB-UHFFFAOYSA-N
XLogP14.53
TPSA507.38 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001996.28
LogP ≤ 514.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea?
The IUPAC name of 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea (CID 158763961) is 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea.
What is the SMILES notation for 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea?
The canonical SMILES for 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea is CNc1cccc(C2=NN(c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)C(=O)C2)c1.CNc1cccc(C2=NN(c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)C(=O)C2)c1.O=C(Nc1ccc(N2N=C(c3ccccc3)CC2=O)nn1)NS(=O)(=O)c1ccc(Cl)s1.O=C(Nc1cnc(N2N=C(c3ccccc3)CC2=O)cn1)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea?
The InChIKey is IPAGWVARIAEKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O4S2.C21H18ClN5O4S2.2C18H13ClN6O4S2/c1-24-13-4-2-3-12(9-13)16-11-19(29)28(26-16)17-6-5-14(10-15(17)22)25-21(30)27-34(31,32)20-8-7-18(23)33-20;1-23-15-4-2-3-13(11-15)17-12-19(28)27(25-17)16-7-5-14(6-8-16)24-21(29)26-33(30,31)20-10-9-18(22)32-20;19-13-6-9-17(30-13)31(28,29)24-18(27)20-14-7-8-15(22-21-14)25-16(26)10-12(23-25)11-4-2-1-3-5-11;19-13-6-7-17(30-13)31(28,29)24-18(27)22-14-9-21-15(10-20-14)25-16(26)8-12(23-25)11-4-2-1-3-5-11/h2-10,24H,11H2,1H3,(H2,25,27,30);2-11,23H,12H2,1H3,(H2,24,26,29);1-9H,10H2,(H2,20,21,24,27);1-7,9-10H,8H2,(H2,20,22,24,27).
What are the key properties of 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea?
1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea has a molecular weight of 1996.28 g/mol, XLogP of 14.53, 22 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[3-[3-(methylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[5-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyrazin-2-yl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-(5-oxo-3-phenyl-4H-pyrazol-1-yl)pyridazin-3-yl]urea is sourced from PubChem (CID 158763961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).