2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide

C20H16F3N3O4S — CID 24855375

IUPAC2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1ncccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H16F3N3O4S/c1-12-17(6-3-9-25-12)30-18-10-13(20(21,22)23)7-8-16(18)19(27)26-14-4-2-5-15(11-14)31(24,28)29/h2-11H,1H3,(H,26,27)(H2,24,28,29)
InChIKeyNNBPOGVVFNSUAO-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.10
Rot. Bonds5

About 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide

2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 24855375) has the molecular formula C20H16F3N3O4S and a molecular weight of 451.43 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
PubChem CID24855375
Molecular FormulaC20H16F3N3O4S
Molecular Weight451.43 g/mol
Exact Mass451.08
IUPAC Name2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide
SMILESCc1ncccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H16F3N3O4S/c1-12-17(6-3-9-25-12)30-18-10-13(20(21,22)23)7-8-16(18)19(27)26-14-4-2-5-15(11-14)31(24,28)29/h2-11H,1H3,(H,26,27)(H2,24,28,29)
InChIKeyNNBPOGVVFNSUAO-UHFFFAOYSA-N
XLogP4.10
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide (CID 24855375) is 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is Cc1ncccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is NNBPOGVVFNSUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4S/c1-12-17(6-3-9-25-12)30-18-10-13(20(21,22)23)7-8-16(18)19(27)26-14-4-2-5-15(11-14)31(24,28)29/h2-11H,1H3,(H,26,27)(H2,24,28,29).
What are the key properties of 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide?
2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 451.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)oxy]-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24855375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).