N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide

C13H15N5O5S — CID 1223420

IUPACN-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H15N5O5S/c1-2-15-24(22,23)12-5-3-10(4-6-12)16-13(19)9-17-8-11(7-14-17)18(20)21/h3-8,15H,2,9H2,1H3,(H,16,19)
InChIKeySZZVVRZTUXEYGJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP0.73
Rot. Bonds7

About N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide

N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 1223420) has the molecular formula C13H15N5O5S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID1223420
Molecular FormulaC13H15N5O5S
Molecular Weight353.36 g/mol
Exact Mass353.08
IUPAC NameN-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H15N5O5S/c1-2-15-24(22,23)12-5-3-10(4-6-12)16-13(19)9-17-8-11(7-14-17)18(20)21/h3-8,15H,2,9H2,1H3,(H,16,19)
InChIKeySZZVVRZTUXEYGJ-UHFFFAOYSA-N
XLogP0.73
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 4916148
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4353483
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2514702
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-methyl-4-nitrobenzenesulfonamide
CID 1069210
N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 22204152
2-(4-amino-1H-pyrazol-1-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
CID 43382452
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 47083103
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
CID 47812992
2-(4-acetamidopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 72139165
n-(2,3-Difluorophenyl)-2-(4-nitro-1h-pyrazol-1-yl)acetamide
CID 47450919
2-(4-nitropyrazol-1-yl)-N-phenylacetamide
CID 841679

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide (CID 1223420) is N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide is CCNS(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is SZZVVRZTUXEYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O5S/c1-2-15-24(22,23)12-5-3-10(4-6-12)16-13(19)9-17-8-11(7-14-17)18(20)21/h3-8,15H,2,9H2,1H3,(H,16,19).
What are the key properties of N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide?
N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 353.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfamoyl)phenyl]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1223420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).