2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide

C16H14N4O4S — CID 55700067

IUPAC2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H14N4O4S/c1-12-6-7-15(20(21)22)11-16(12)25(23,24)18-13-4-2-5-14(10-13)19-9-3-8-17-19/h2-11,18H,1H3
InChIKeyRKIBLSWWRSEXGI-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide

2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide (PubChem CID 55700067) has the molecular formula C16H14N4O4S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
PubChem CID55700067
Molecular FormulaC16H14N4O4S
Molecular Weight358.38 g/mol
Exact Mass358.07
IUPAC Name2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H14N4O4S/c1-12-6-7-15(20(21)22)11-16(12)25(23,24)18-13-4-2-5-14(10-13)19-9-3-8-17-19/h2-11,18H,1H3
InChIKeyRKIBLSWWRSEXGI-UHFFFAOYSA-N
XLogP2.89
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methyl-5-nitro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635945
N-(3-ethynylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 16962790
2-chloro-4-methyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 47034188
2-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 21173747
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
N-(4-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2796540
N-(4-iodophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 2920673
2-methyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-4-nitrobenzenesulfonamide
CID 136519382
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
2-carboxy-5-[(2-methyl-5-nitrophenyl)sulfonylamino]phenolate
CID 54725190
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide (CID 55700067) is 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is RKIBLSWWRSEXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4S/c1-12-6-7-15(20(21)22)11-16(12)25(23,24)18-13-4-2-5-14(10-13)19-9-3-8-17-19/h2-11,18H,1H3.
What are the key properties of 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide?
2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 358.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 55700067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).