4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C14H11F3N2O5S — CID 7938669

IUPAC4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11F3N2O5S/c1-24-13-6-5-11(8-12(13)19(20)21)25(22,23)18-10-4-2-3-9(7-10)14(15,16)17/h2-8,18H,1H3
InChIKeyQCBZZJQUCZXFMV-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.42
Rot. Bonds5

About 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 7938669) has the molecular formula C14H11F3N2O5S and a molecular weight of 376.31 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID7938669
Molecular FormulaC14H11F3N2O5S
Molecular Weight376.31 g/mol
Exact Mass376.03
IUPAC Name4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11F3N2O5S/c1-24-13-6-5-11(8-12(13)19(20)21)25(22,23)18-10-4-2-3-9(7-10)14(15,16)17/h2-8,18H,1H3
InChIKeyQCBZZJQUCZXFMV-UHFFFAOYSA-N
XLogP3.42
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.42
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 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide 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

2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
4-methoxy-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 55703435
3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638
3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315059
4-ethoxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 39824387
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-nitrobenzenesulfonamide
CID 3847210
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810
1-methoxy-2-nitro-4-(trifluoromethylsulfonyl)benzene
CID 1380916

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 7938669) is 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is QCBZZJQUCZXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O5S/c1-24-13-6-5-11(8-12(13)19(20)21)25(22,23)18-10-4-2-3-9(7-10)14(15,16)17/h2-8,18H,1H3.
What are the key properties of 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 376.31 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7938669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).