2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

C13H10F3N3O5S — CID 166747844

IUPAC2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H10F3N3O5S/c1-24-10-4-3-9(19(20)21)6-11(10)25(22,23)18-8-2-5-12(17-7-8)13(14,15)16/h2-7,18H,1H3
InChIKeyAGGOGRXCWYSJOE-UHFFFAOYSA-N
MW377.30 g/mol
LogP2.82
Rot. Bonds5

About 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide

2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 166747844) has the molecular formula C13H10F3N3O5S and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
PubChem CID166747844
Molecular FormulaC13H10F3N3O5S
Molecular Weight377.30 g/mol
Exact Mass377.03
IUPAC Name2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H10F3N3O5S/c1-24-10-4-3-9(19(20)21)6-11(10)25(22,23)18-8-2-5-12(17-7-8)13(14,15)16/h2-7,18H,1H3
InChIKeyAGGOGRXCWYSJOE-UHFFFAOYSA-N
XLogP2.82
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 52.82
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-(4-tert-butylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822435
2-methoxy-5-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 8822400
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324
2-methoxy-5-nitro-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 18141956
N-(3-iodophenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 35971820
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-[4-(thiadiazol-4-yl)phenyl]benzenesulfonamide
CID 55985401
N-(4-butan-2-ylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092817
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-nitrobenzenesulfonamide
CID 18092796
2-methoxy-N-[(2-methylpropan-2-yl)oxy]-5-nitrobenzenesulfonamide
CID 82723411
2-methoxy-4-nitro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 47062695

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide (CID 166747844) is 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is AGGOGRXCWYSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O5S/c1-24-10-4-3-9(19(20)21)6-11(10)25(22,23)18-8-2-5-12(17-7-8)13(14,15)16/h2-7,18H,1H3.
What are the key properties of 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide?
2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 377.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-[6-(trifluoromethyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 166747844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).