1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide

C17H16N4O4S — CID 22203774

IUPAC1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(-c3ccccc3[N+](=O)[O-])cc2)cnn1C
InChIInChI=1S/C17H16N4O4S/c1-12-17(11-18-20(12)2)26(24,25)19-14-9-7-13(8-10-14)15-5-3-4-6-16(15)21(22)23/h3-11,19H,1-2H3
InChIKeyZOBOICSECITLNY-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.10
Rot. Bonds5

About 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide

1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 22203774) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
PubChem CID22203774
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(-c3ccccc3[N+](=O)[O-])cc2)cnn1C
InChIInChI=1S/C17H16N4O4S/c1-12-17(11-18-20(12)2)26(24,25)19-14-9-7-13(8-10-14)15-5-3-4-6-16(15)21(22)23/h3-11,19H,1-2H3
InChIKeyZOBOICSECITLNY-UHFFFAOYSA-N
XLogP3.10
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.10
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'}

Analyze 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide 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

N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22775112
1,5-dimethyl-N-(3-nitrophenyl)pyrazole-4-sulfonamide
CID 22774102
1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203361
3,4-dimethoxy-N-[4-(2-nitrophenyl)phenyl]benzenesulfonamide
CID 22203747
N-(2,6-dimethylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22773725
N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
2-methyl-N-(4-methylphenyl)-3-nitrobenzenesulfonamide
CID 38771912
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 4146785
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide (CID 22203774) is 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(-c3ccccc3[N+](=O)[O-])cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is ZOBOICSECITLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-12-17(11-18-20(12)2)26(24,25)19-14-9-7-13(8-10-14)15-5-3-4-6-16(15)21(22)23/h3-11,19H,1-2H3.
What are the key properties of 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide?
1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide has a molecular weight of 372.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-(2-nitrophenyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22203774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).