5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide

C27H25F2N5O6S — CID 83276513

IUPAC5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C27H25F2N5O6S/c1-16-24(25(35)30-19-10-8-17(28)9-11-19)31-33(20-7-5-6-18(29)14-20)26(16)40-22-13-12-21(34(36)37)15-23(22)41(38,39)32-27(2,3)4/h5-15,32H,1-4H3,(H,30,35)
InChIKeyRPIYTBYUYXYEER-UHFFFAOYSA-N
MW585.59 g/mol
LogP5.49
Rot. Bonds8

About 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide

5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide (PubChem CID 83276513) has the molecular formula C27H25F2N5O6S and a molecular weight of 585.59 g/mol. Its IUPAC name is 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
PubChem CID83276513
Molecular FormulaC27H25F2N5O6S
Molecular Weight585.59 g/mol
Exact Mass585.15
IUPAC Name5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C27H25F2N5O6S/c1-16-24(25(35)30-19-10-8-17(28)9-11-19)31-33(20-7-5-6-18(29)14-20)26(16)40-22-13-12-21(34(36)37)15-23(22)41(38,39)32-27(2,3)4/h5-15,32H,1-4H3,(H,30,35)
InChIKeyRPIYTBYUYXYEER-UHFFFAOYSA-N
XLogP5.49
TPSA145.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.59
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-N-(4-fluorophenyl)-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 83277458
N-(4-fluorophenyl)-5-[2-(2-methoxyethylsulfamoyl)-4-nitrophenoxy]-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 83276736
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(3-fluorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide
CID 98441950
1-(3-fluorophenyl)-5-[2-(2-methoxyethylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 83285906
5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-N-(2-methoxyethyl)-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 83276504
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 98766659
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methylpyrazole-3-carboxamide
CID 98441942
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-4-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 98441833
1-tert-butyl-5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 71958983
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(4-fluorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide
CID 98440601
4-methyl-N-(2-methylpropyl)-5-[2-(2-methylpropylsulfamoyl)-4-nitrophenoxy]-1-phenylpyrazole-3-carboxamide
CID 83286209
4-methyl-N-(3-methylphenyl)-5-(2-morpholin-4-ylsulfonyl-4-nitrophenoxy)-1-phenylpyrazole-3-carboxamide
CID 83277178

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide (CID 83276513) is 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)nn(-c2cccc(F)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
The InChIKey is RPIYTBYUYXYEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O6S/c1-16-24(25(35)30-19-10-8-17(28)9-11-19)31-33(20-7-5-6-18(29)14-20)26(16)40-22-13-12-21(34(36)37)15-23(22)41(38,39)32-27(2,3)4/h5-15,32H,1-4H3,(H,30,35).
What are the key properties of 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide?
5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide has a molecular weight of 585.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(tert-butylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 83276513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).