N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C55H47Cl2FN10O9S3 — CID 87894255

IUPACN-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4O3S.C18H15ClFN3O3S.C18H16ClN3O3S/c1-14-11-17(23(21-14)16-5-3-2-4-6-16)12-19(24)22-27(25,26)18-9-7-15(13-20)8-10-18;1-12-10-16(23(21-12)15-6-4-14(20)5-7-15)11-18(24)22-27(25,26)17-8-2-13(19)3-9-17;1-13-11-16(22(20-13)15-5-3-2-4-6-15)12-18(23)21-26(24,25)17-9-7-14(19)8-10-17/h2-11H,12H2,1H3,(H,22,24);2-10H,11H2,1H3,(H,22,24);2-11H,12H2,1H3,(H,21,23)
InChIKeyGHNRMSMTQOPLED-UHFFFAOYSA-N
MW1178.15 g/mol
LogP8.00
Rot. Bonds15

About N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide

N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 87894255) has the molecular formula C55H47Cl2FN10O9S3 and a molecular weight of 1178.15 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID87894255
Molecular FormulaC55H47Cl2FN10O9S3
Molecular Weight1178.15 g/mol
Exact Mass1176.21
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H16N4O3S.C18H15ClFN3O3S.C18H16ClN3O3S/c1-14-11-17(23(21-14)16-5-3-2-4-6-16)12-19(24)22-27(25,26)18-9-7-15(13-20)8-10-18;1-12-10-16(23(21-12)15-6-4-14(20)5-7-15)11-18(24)22-27(25,26)17-8-2-13(19)3-9-17;1-13-11-16(22(20-13)15-5-3-2-4-6-15)12-18(23)21-26(24,25)17-9-7-14(19)8-10-17/h2-11H,12H2,1H3,(H,22,24);2-10H,11H2,1H3,(H,22,24);2-11H,12H2,1H3,(H,21,23)
InChIKeyGHNRMSMTQOPLED-UHFFFAOYSA-N
XLogP8.00
TPSA266.97 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.15
LogP ≤ 58.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 87894255) is N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)n(-c2ccccc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1.Cc1cc(CC(=O)NS(=O)(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is GHNRMSMTQOPLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S.C18H15ClFN3O3S.C18H16ClN3O3S/c1-14-11-17(23(21-14)16-5-3-2-4-6-16)12-19(24)22-27(25,26)18-9-7-15(13-20)8-10-18;1-12-10-16(23(21-12)15-6-4-14(20)5-7-15)11-18(24)22-27(25,26)17-8-2-13(19)3-9-17;1-13-11-16(22(20-13)15-5-3-2-4-6-15)12-18(23)21-26(24,25)17-9-7-14(19)8-10-17/h2-11H,12H2,1H3,(H,22,24);2-10H,11H2,1H3,(H,22,24);2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 1178.15 g/mol, XLogP of 8.00, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;N-(4-chlorophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide;N-(4-cyanophenyl)sulfonyl-2-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 87894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).