N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C110H95Cl4F2N15O15S11 — CID 173186264

IUPACN-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cc3ccc(F)cc3)s2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)s2)n(-c2ccc(F)cc2)n1.Cc1ccc(CCc2ccc(S(=O)(=O)NC(=O)Cc3cc(C)nn3-c3ccccc3)s2)cc1
InChIInChI=1S/C25H25N3O3S2.C24H20ClN3O3S2.C23H20FN3O3S2.C22H17ClFN3O3S3.C16H13Cl2N3O3S2/c1-18-8-10-20(11-9-18)12-13-23-14-15-25(32-23)33(30,31)27-24(29)17-22-16-19(2)26-28(22)21-6-4-3-5-7-21;1-17-15-20(28(26-17)19-5-3-2-4-6-19)16-24(29)27-33(30,31)23-13-11-22(12-14-23)32-21-9-7-18(25)8-10-21;1-16-13-20(27(25-16)19-5-3-2-4-6-19)15-22(28)26-32(29,30)23-12-11-21(31-23)14-17-7-9-18(24)10-8-17;1-14-12-18(27(25-14)17-6-4-16(24)5-7-17)13-20(28)26-33(29,30)22-11-10-21(32-22)31-19-8-2-15(23)3-9-19;1-10-7-12(21(19-10)11-5-3-2-4-6-11)8-15(22)20-26(23,24)13-9-14(17)25-16(13)18/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,29);2-15H,16H2,1H3,(H,27,29);2-13H,14-15H2,1H3,(H,26,28);2-12H,13H2,1H3,(H,26,28);2-7,9H,8H2,1H3,(H,20,22)
InChIKeyRKNFFFBTDQIUJG-UHFFFAOYSA-N
MW2399.60 g/mol
LogP22.27
Rot. Bonds34

About N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide

N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 173186264) has the molecular formula C110H95Cl4F2N15O15S11 and a molecular weight of 2399.60 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID173186264
Molecular FormulaC110H95Cl4F2N15O15S11
Molecular Weight2399.60 g/mol
Exact Mass2395.28
IUPAC NameN-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cc3ccc(F)cc3)s2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)s2)n(-c2ccc(F)cc2)n1.Cc1ccc(CCc2ccc(S(=O)(=O)NC(=O)Cc3cc(C)nn3-c3ccccc3)s2)cc1
InChIInChI=1S/C25H25N3O3S2.C24H20ClN3O3S2.C23H20FN3O3S2.C22H17ClFN3O3S3.C16H13Cl2N3O3S2/c1-18-8-10-20(11-9-18)12-13-23-14-15-25(32-23)33(30,31)27-24(29)17-22-16-19(2)26-28(22)21-6-4-3-5-7-21;1-17-15-20(28(26-17)19-5-3-2-4-6-19)16-24(29)27-33(30,31)23-13-11-22(12-14-23)32-21-9-7-18(25)8-10-21;1-16-13-20(27(25-16)19-5-3-2-4-6-19)15-22(28)26-32(29,30)23-12-11-21(31-23)14-17-7-9-18(24)10-8-17;1-14-12-18(27(25-14)17-6-4-16(24)5-7-17)13-20(28)26-33(29,30)22-11-10-21(32-22)31-19-8-2-15(23)3-9-19;1-10-7-12(21(19-10)11-5-3-2-4-6-11)8-15(22)20-26(23,24)13-9-14(17)25-16(13)18/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,29);2-15H,16H2,1H3,(H,27,29);2-13H,14-15H2,1H3,(H,26,28);2-12H,13H2,1H3,(H,26,28);2-7,9H,8H2,1H3,(H,20,22)
InChIKeyRKNFFFBTDQIUJG-UHFFFAOYSA-N
XLogP22.27
TPSA405.30 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002399.60
LogP ≤ 522.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 173186264) is N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cc3ccc(F)cc3)s2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)cc2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)s2)n(-c2ccc(F)cc2)n1.Cc1ccc(CCc2ccc(S(=O)(=O)NC(=O)Cc3cc(C)nn3-c3ccccc3)s2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is RKNFFFBTDQIUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2.C24H20ClN3O3S2.C23H20FN3O3S2.C22H17ClFN3O3S3.C16H13Cl2N3O3S2/c1-18-8-10-20(11-9-18)12-13-23-14-15-25(32-23)33(30,31)27-24(29)17-22-16-19(2)26-28(22)21-6-4-3-5-7-21;1-17-15-20(28(26-17)19-5-3-2-4-6-19)16-24(29)27-33(30,31)23-13-11-22(12-14-23)32-21-9-7-18(25)8-10-21;1-16-13-20(27(25-16)19-5-3-2-4-6-19)15-22(28)26-32(29,30)23-12-11-21(31-23)14-17-7-9-18(24)10-8-17;1-14-12-18(27(25-14)17-6-4-16(24)5-7-17)13-20(28)26-33(29,30)22-11-10-21(32-22)31-19-8-2-15(23)3-9-19;1-10-7-12(21(19-10)11-5-3-2-4-6-11)8-15(22)20-26(23,24)13-9-14(17)25-16(13)18/h3-11,14-16H,12-13,17H2,1-2H3,(H,27,29);2-15H,16H2,1H3,(H,27,29);2-13H,14-15H2,1H3,(H,26,28);2-12H,13H2,1H3,(H,26,28);2-7,9H,8H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 2399.60 g/mol, XLogP of 22.27, 34 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)sulfanylphenyl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-[5-[2-(4-methylphenyl)ethyl]thiophen-2-yl]sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 173186264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).