N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

C21H15F3N4O4S — CID 55896477

IUPACN-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O4S/c1-13-11-16(32-19-14(12-25)3-2-10-26-19)6-9-18(13)28-33(30,31)17-7-4-15(5-8-17)27-20(29)21(22,23)24/h2-11,28H,1H3,(H,27,29)
InChIKeyYIQPGWSRPLNDCH-UHFFFAOYSA-N
MW476.44 g/mol
LogP4.36
Rot. Bonds6

About N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 55896477) has the molecular formula C21H15F3N4O4S and a molecular weight of 476.44 g/mol. Its IUPAC name is N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID55896477
Molecular FormulaC21H15F3N4O4S
Molecular Weight476.44 g/mol
Exact Mass476.08
IUPAC NameN-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O4S/c1-13-11-16(32-19-14(12-25)3-2-10-26-19)6-9-18(13)28-33(30,31)17-7-4-15(5-8-17)27-20(29)21(22,23)24/h2-11,28H,1H3,(H,27,29)
InChIKeyYIQPGWSRPLNDCH-UHFFFAOYSA-N
XLogP4.36
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (CID 55896477) is N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is YIQPGWSRPLNDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O4S/c1-13-11-16(32-19-14(12-25)3-2-10-26-19)6-9-18(13)28-33(30,31)17-7-4-15(5-8-17)27-20(29)21(22,23)24/h2-11,28H,1H3,(H,27,29).
What are the key properties of N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 476.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 55896477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).