6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

C18H14ClF3N4O2S — CID 134306408

IUPAC6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1cccc(C(F)(F)F)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)ccc1Cl
InChIInChI=1S/C18H14ClF3N4O2S/c1-10-4-2-5-11(18(20,21)22)16(10)17-12(19)8-9-14(25-17)26-29(27,28)15-7-3-6-13(23)24-15/h2-9H,1H3,(H2,23,24)(H,25,26)
InChIKeyDTGSXABESHKTFD-UHFFFAOYSA-N
MW442.85 g/mol
LogP4.51
Rot. Bonds4

About 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide

6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (PubChem CID 134306408) has the molecular formula C18H14ClF3N4O2S and a molecular weight of 442.85 g/mol. Its IUPAC name is 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
PubChem CID134306408
Molecular FormulaC18H14ClF3N4O2S
Molecular Weight442.85 g/mol
Exact Mass442.05
IUPAC Name6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide
SMILESCc1cccc(C(F)(F)F)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)ccc1Cl
InChIInChI=1S/C18H14ClF3N4O2S/c1-10-4-2-5-11(18(20,21)22)16(10)17-12(19)8-9-14(25-17)26-29(27,28)15-7-3-6-13(23)24-15/h2-9H,1H3,(H2,23,24)(H,25,26)
InChIKeyDTGSXABESHKTFD-UHFFFAOYSA-N
XLogP4.51
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.85
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The IUPAC name of 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide (CID 134306408) is 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide.
What is the SMILES notation for 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The canonical SMILES for 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is Cc1cccc(C(F)(F)F)c1-c1nc(NS(=O)(=O)c2cccc(N)n2)ccc1Cl.
What is the InChIKey of 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
The InChIKey is DTGSXABESHKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O2S/c1-10-4-2-5-11(18(20,21)22)16(10)17-12(19)8-9-14(25-17)26-29(27,28)15-7-3-6-13(23)24-15/h2-9H,1H3,(H2,23,24)(H,25,26).
What are the key properties of 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide?
6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide has a molecular weight of 442.85 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[5-chloro-6-[2-methyl-6-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-2-sulfonamide is sourced from PubChem (CID 134306408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).