N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H8F2N4O4S — CID 61275948

IUPACN-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C10H8F2N4O4S/c1-5-10(4-13-14-5)21(19,20)15-8-3-9(16(17)18)7(12)2-6(8)11/h2-4,15H,1H3,(H,13,14)
InChIKeyLMGZKOZSOFEXJJ-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.71
Rot. Bonds4

About N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61275948) has the molecular formula C10H8F2N4O4S and a molecular weight of 318.26 g/mol. Its IUPAC name is N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61275948
Molecular FormulaC10H8F2N4O4S
Molecular Weight318.26 g/mol
Exact Mass318.02
IUPAC NameN-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C10H8F2N4O4S/c1-5-10(4-13-14-5)21(19,20)15-8-3-9(16(17)18)7(12)2-6(8)11/h2-4,15H,1H3,(H,13,14)
InChIKeyLMGZKOZSOFEXJJ-UHFFFAOYSA-N
XLogP1.71
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.71
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'}

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Related Compounds

N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81313064
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
N-(2-cyano-4-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275984
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide
CID 60731623
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435
2,4-difluoro-5-nitro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62946304
4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 60910950
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 61275948) is N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LMGZKOZSOFEXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O4S/c1-5-10(4-13-14-5)21(19,20)15-8-3-9(16(17)18)7(12)2-6(8)11/h2-4,15H,1H3,(H,13,14).
What are the key properties of N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 318.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61275948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).