3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C15H14F3N3O4S — CID 47062724

IUPAC3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cn1
InChIInChI=1S/C15H14F3N3O4S/c1-25-13-6-5-11(8-19-13)21-26(23,24)12-4-2-3-10(7-12)14(22)20-9-15(16,17)18/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyJNGMOGZSQKHETI-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.18
Rot. Bonds6

About 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 47062724) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID47062724
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Name3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cn1
InChIInChI=1S/C15H14F3N3O4S/c1-25-13-6-5-11(8-19-13)21-26(23,24)12-4-2-3-10(7-12)14(22)20-9-15(16,17)18/h2-8,21H,9H2,1H3,(H,20,22)
InChIKeyJNGMOGZSQKHETI-UHFFFAOYSA-N
XLogP2.18
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55901843
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethoxy)phenyl]sulfamoyl]benzamide
CID 52699404
3-hydroxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 81259188
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896598
3-[(5-bromo-2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60533253
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55878516
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 55932643
3-(tribromomethylsulfonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18717059
3-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60532880
3-[(2-amino-2-methylpropyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119988475

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 47062724) is 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JNGMOGZSQKHETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c1-25-13-6-5-11(8-19-13)21-26(23,24)12-4-2-3-10(7-12)14(22)20-9-15(16,17)18/h2-8,21H,9H2,1H3,(H,20,22).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 389.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 47062724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).