N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H16ClF3N4O4S — CID 118248970

IUPACN-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3Cl)c2)ccn1
InChIInChI=1S/C20H16ClF3N4O4S/c1-11-17(7-14(10-26-11)13-5-6-25-19(8-13)27-12(2)29)28-33(30,31)18-4-3-15(9-16(18)21)32-20(22,23)24/h3-10,28H,1-2H3,(H,25,27,29)
InChIKeyNMFJIGGYKWLABZ-UHFFFAOYSA-N
MW500.89 g/mol
LogP4.76
Rot. Bonds6

About N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118248970) has the molecular formula C20H16ClF3N4O4S and a molecular weight of 500.89 g/mol. Its IUPAC name is N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118248970
Molecular FormulaC20H16ClF3N4O4S
Molecular Weight500.89 g/mol
Exact Mass500.05
IUPAC NameN-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3Cl)c2)ccn1
InChIInChI=1S/C20H16ClF3N4O4S/c1-11-17(7-14(10-26-11)13-5-6-25-19(8-13)27-12(2)29)28-33(30,31)18-4-3-15(9-16(18)21)32-20(22,23)24/h3-10,28H,1-2H3,(H,25,27,29)
InChIKeyNMFJIGGYKWLABZ-UHFFFAOYSA-N
XLogP4.76
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.89
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 118248970) is N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3Cl)c2)ccn1.
What is the InChIKey of N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is NMFJIGGYKWLABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O4S/c1-11-17(7-14(10-26-11)13-5-6-25-19(8-13)27-12(2)29)28-33(30,31)18-4-3-15(9-16(18)21)32-20(22,23)24/h3-10,28H,1-2H3,(H,25,27,29).
What are the key properties of N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 500.89 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[2-chloro-4-(trifluoromethoxy)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118248970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).