N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide

C10H10N4O4S — CID 54937260

IUPACN-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S/c1-7-2-3-8(4-10(7)14(15)16)13-19(17,18)9-5-11-12-6-9/h2-6,13H,1H3,(H,11,12)
InChIKeyHAYZBEXXTIRPHD-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.43
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide

N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937260) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54937260
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC NameN-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S/c1-7-2-3-8(4-10(7)14(15)16)13-19(17,18)9-5-11-12-6-9/h2-6,13H,1H3,(H,11,12)
InChIKeyHAYZBEXXTIRPHD-UHFFFAOYSA-N
XLogP1.43
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-methyl-3-nitrophenyl)-1H-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-bromo-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 79767477
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
4,5-dimethyl-2-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540522
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
N-(4-methyl-3-nitrophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22775049
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
3-[2-methyl-5-(1H-pyrazol-4-ylsulfonylamino)phenyl]prop-2-enoic acid
CID 77011648
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
4-amino-3-nitro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540317

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide (CID 54937260) is N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HAYZBEXXTIRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-7-2-3-8(4-10(7)14(15)16)13-19(17,18)9-5-11-12-6-9/h2-6,13H,1H3,(H,11,12).
What are the key properties of N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide?
N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 282.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).