N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide

C22H27N5O3S — CID 78869822

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C22H27N5O3S/c1-4-23-19-13-12-18(31(29,30)26(5-2)6-3)16-21(19)24-22(28)20-14-15-27(25-20)17-10-8-7-9-11-17/h7-16,23H,4-6H2,1-3H3,(H,24,28)
InChIKeyWKRIPVLBLKJYGS-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.59
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 78869822) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID78869822
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C22H27N5O3S/c1-4-23-19-13-12-18(31(29,30)26(5-2)6-3)16-21(19)24-22(28)20-14-15-27(25-20)17-10-8-7-9-11-17/h7-16,23H,4-6H2,1-3H3,(H,24,28)
InChIKeyWKRIPVLBLKJYGS-UHFFFAOYSA-N
XLogP3.59
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55667115
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-benzofuran-2-carboxamide
CID 47022693
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
CID 4839383
N-[4-(diethylsulfamoyl)phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78868746
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42948461
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide (CID 78869822) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is WKRIPVLBLKJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-4-23-19-13-12-18(31(29,30)26(5-2)6-3)16-21(19)24-22(28)20-14-15-27(25-20)17-10-8-7-9-11-17/h7-16,23H,4-6H2,1-3H3,(H,24,28).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 78869822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).