N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide

C22H19F4N3O4S — CID 66890680

IUPACN-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCCc2cccc(F)c2C(F)(F)F)c1
InChIInChI=1S/C22H19F4N3O4S/c1-33-16-11-15(12-27-13-16)29-34(31,32)19-8-3-2-6-17(19)21(30)28-10-9-14-5-4-7-18(23)20(14)22(24,25)26/h2-8,11-13,29H,9-10H2,1H3,(H,28,30)
InChIKeyDRWQQTSUNIFXRL-UHFFFAOYSA-N
MW497.47 g/mol
LogP4.02
Rot. Bonds8

About N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide

N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (PubChem CID 66890680) has the molecular formula C22H19F4N3O4S and a molecular weight of 497.47 g/mol. Its IUPAC name is N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
PubChem CID66890680
Molecular FormulaC22H19F4N3O4S
Molecular Weight497.47 g/mol
Exact Mass497.10
IUPAC NameN-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
SMILESCOc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCCc2cccc(F)c2C(F)(F)F)c1
InChIInChI=1S/C22H19F4N3O4S/c1-33-16-11-15(12-27-13-16)29-34(31,32)19-8-3-2-6-17(19)21(30)28-10-9-14-5-4-7-18(23)20(14)22(24,25)26/h2-8,11-13,29H,9-10H2,1H3,(H,28,30)
InChIKeyDRWQQTSUNIFXRL-UHFFFAOYSA-N
XLogP4.02
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide (CID 66890680) is N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is COc1cncc(NS(=O)(=O)c2ccccc2C(=O)NCCc2cccc(F)c2C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
The InChIKey is DRWQQTSUNIFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O4S/c1-33-16-11-15(12-27-13-16)29-34(31,32)19-8-3-2-6-17(19)21(30)28-10-9-14-5-4-7-18(23)20(14)22(24,25)26/h2-8,11-13,29H,9-10H2,1H3,(H,28,30).
What are the key properties of N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide?
N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide has a molecular weight of 497.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide is sourced from PubChem (CID 66890680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).