3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

C17H19F3N4O4S — CID 55933893

IUPAC3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCCNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O4S/c1-24(28-2)29(26,27)13-6-3-5-12(11-13)16(25)23-10-9-22-15-14(17(18,19)20)7-4-8-21-15/h3-8,11H,9-10H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyWQBHZMPZMNYTFW-UHFFFAOYSA-N
MW432.42 g/mol
LogP2.12
Rot. Bonds8

About 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 55933893) has the molecular formula C17H19F3N4O4S and a molecular weight of 432.42 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
PubChem CID55933893
Molecular FormulaC17H19F3N4O4S
Molecular Weight432.42 g/mol
Exact Mass432.11
IUPAC Name3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)NCCNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O4S/c1-24(28-2)29(26,27)13-6-3-5-12(11-13)16(25)23-10-9-22-15-14(17(18,19)20)7-4-8-21-15/h3-8,11H,9-10H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyWQBHZMPZMNYTFW-UHFFFAOYSA-N
XLogP2.12
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55969923
4-methoxy-3-(propan-2-ylsulfamoyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932878
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263
N-[2-(3-chlorophenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31251417
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 87036570
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
5-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-2,5-dicarboxamide
CID 86859159
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 55976049
3-[methoxy(methyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 9207030
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111668161

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (CID 55933893) is 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)NCCNc2ncccc2C(F)(F)F)c1.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is WQBHZMPZMNYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4S/c1-24(28-2)29(26,27)13-6-3-5-12(11-13)16(25)23-10-9-22-15-14(17(18,19)20)7-4-8-21-15/h3-8,11H,9-10H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 432.42 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 55933893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).