2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C14H11F3N2O5S — CID 8822400

IUPAC2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O5S/c1-24-12-6-5-11(19(20)21)8-13(12)25(22,23)18-10-4-2-3-9(7-10)14(15,16)17/h2-8,18H,1H3
InChIKeyYZMQFKFCQXABMW-UHFFFAOYSA-N
MW376.31 g/mol
LogP3.42
Rot. Bonds5

About 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 8822400) has the molecular formula C14H11F3N2O5S and a molecular weight of 376.31 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID8822400
Molecular FormulaC14H11F3N2O5S
Molecular Weight376.31 g/mol
Exact Mass376.03
IUPAC Name2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O5S/c1-24-12-6-5-11(19(20)21)8-13(12)25(22,23)18-10-4-2-3-9(7-10)14(15,16)17/h2-8,18H,1H3
InChIKeyYZMQFKFCQXABMW-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'}

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Related Compounds

N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
N-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7938669
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
CID 166747844
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
N-(4-chloro-3-nitrophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18268802
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide
CID 24650358
2-chloro-N-(2-methoxy-5-nitrophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 26951385

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 8822400) is 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YZMQFKFCQXABMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O5S/c1-24-12-6-5-11(19(20)21)8-13(12)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 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
2-methoxy-5-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 2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 8822400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).