N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide

C14H13FN2O5S — CID 4815997

IUPACN-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O5S/c1-9-7-10(15)3-5-12(9)16-23(20,21)11-4-6-14(22-2)13(8-11)17(18)19/h3-8,16H,1-2H3
InChIKeySAMMHQOFWXIGLQ-UHFFFAOYSA-N
MW340.33 g/mol
LogP2.85
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide

N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide (PubChem CID 4815997) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
PubChem CID4815997
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13FN2O5S/c1-9-7-10(15)3-5-12(9)16-23(20,21)11-4-6-14(22-2)13(8-11)17(18)19/h3-8,16H,1-2H3
InChIKeySAMMHQOFWXIGLQ-UHFFFAOYSA-N
XLogP2.85
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 52.85
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'}

Analyze N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide 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-fluoro-2-methylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579700
1-N,3-N-bis(4-fluoro-2-methylphenyl)-4-methoxybenzene-1,3-disulfonamide
CID 138393240
4-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide
CID 26966142
4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4801341
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036
4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 7939180
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
5-bromo-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 21065061
N,N-diethyl-3-[(4-methoxy-3-nitrophenyl)sulfonylamino]-4,5-dimethylbenzenesulfonamide
CID 24580921
methyl 4,5-dimethoxy-2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate
CID 4824340

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide (CID 4815997) is N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
The InChIKey is SAMMHQOFWXIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c1-9-7-10(15)3-5-12(9)16-23(20,21)11-4-6-14(22-2)13(8-11)17(18)19/h3-8,16H,1-2H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide?
N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide has a molecular weight of 340.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-methoxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 4815997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).