N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide

C12H14N4O4S — CID 43348964

IUPACN,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N4O4S/c1-8-12(9(2)14-13-8)21(19,20)15(3)10-4-6-11(7-5-10)16(17)18/h4-7H,1-3H3,(H,13,14)
InChIKeyCPUWSQIEUJIANQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP1.76
Rot. Bonds4

About N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide

N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 43348964) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID43348964
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC NameN,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H14N4O4S/c1-8-12(9(2)14-13-8)21(19,20)15(3)10-4-6-11(7-5-10)16(17)18/h4-7H,1-3H3,(H,13,14)
InChIKeyCPUWSQIEUJIANQ-UHFFFAOYSA-N
XLogP1.76
TPSA109.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
CID 113095048
3,5-dimethyl-N-(2-methyl-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43398044
2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide
CID 63945983
2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
CID 62142843
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-nitrophenyl)diazene
CID 155272345
N-(4-acetylphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 11537316
N-(3-amino-4-pyridinyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61358245
N,2-dimethyl-5-nitro-N-phenylbenzenesulfonamide
CID 2920408
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
CID 17436993
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
N-(4-bromo-2-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 61274832
N-(3-chloro-4-methylphenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100538866

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide (CID 43348964) is N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is CPUWSQIEUJIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-8-12(9(2)14-13-8)21(19,20)15(3)10-4-6-11(7-5-10)16(17)18/h4-7H,1-3H3,(H,13,14).
What are the key properties of N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 310.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43348964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).