N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide

C13H10FN3O6S — CID 7939121

IUPACN-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O6S/c1-8-2-4-10(7-12(8)16(18)19)24(22,23)15-9-3-5-11(14)13(6-9)17(20)21/h2-7,15H,1H3
InChIKeyYWRZIKNZLDLPRJ-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.75
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide

N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide (PubChem CID 7939121) has the molecular formula C13H10FN3O6S and a molecular weight of 355.30 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
PubChem CID7939121
Molecular FormulaC13H10FN3O6S
Molecular Weight355.30 g/mol
Exact Mass355.03
IUPAC NameN-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H10FN3O6S/c1-8-2-4-10(7-12(8)16(18)19)24(22,23)15-9-3-5-11(14)13(6-9)17(20)21/h2-7,15H,1H3
InChIKeyYWRZIKNZLDLPRJ-UHFFFAOYSA-N
XLogP2.75
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.75
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

N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 100820756
4-methyl-3-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 7938995
N-(4-bromo-2-fluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824317
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
CID 43456451
2-hydroxy-5-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid
CID 5035463
N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 54937260
N-(4-methyl-3-nitrophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22775049
2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide
CID 8501184
5-[(4-fluoro-3-nitrophenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7728362

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide (CID 7939121) is N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide?
The InChIKey is YWRZIKNZLDLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O6S/c1-8-2-4-10(7-12(8)16(18)19)24(22,23)15-9-3-5-11(14)13(6-9)17(20)21/h2-7,15H,1H3.
What are the key properties of N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide?
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide has a molecular weight of 355.30 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 7939121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).