N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

C24H22ClN5O3S — CID 25199292

IUPACN-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCNc1ccccc1)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN5O3S/c25-18-11-13-21(14-12-18)34(32,33)29-23-22(17-28-30(23)20-9-5-2-6-10-20)24(31)27-16-15-26-19-7-3-1-4-8-19/h1-14,17,26,29H,15-16H2,(H,27,31)
InChIKeyYPPXFMDVKBYDID-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.17
Rot. Bonds9

About N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide

N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 25199292) has the molecular formula C24H22ClN5O3S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
PubChem CID25199292
Molecular FormulaC24H22ClN5O3S
Molecular Weight495.99 g/mol
Exact Mass495.11
IUPAC NameN-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCNc1ccccc1)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN5O3S/c25-18-11-13-21(14-12-18)34(32,33)29-23-22(17-28-30(23)20-9-5-2-6-10-20)24(31)27-16-15-26-19-7-3-1-4-8-19/h1-14,17,26,29H,15-16H2,(H,27,31)
InChIKeyYPPXFMDVKBYDID-UHFFFAOYSA-N
XLogP4.17
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide (CID 25199292) is N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is O=C(NCCNc1ccccc1)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YPPXFMDVKBYDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3S/c25-18-11-13-21(14-12-18)34(32,33)29-23-22(17-28-30(23)20-9-5-2-6-10-20)24(31)27-16-15-26-19-7-3-1-4-8-19/h1-14,17,26,29H,15-16H2,(H,27,31).
What are the key properties of N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide?
N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 495.99 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-5-[(4-chlorophenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25199292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).