N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

C16H14F3N3O4S — CID 56847162

IUPACN-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(NO)c1ccc2c(n1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)11-2-4-12(5-3-11)27(25,26)22-8-7-13-10(9-22)1-6-14(20-13)15(23)21-24/h1-6,24H,7-9H2,(H,21,23)
InChIKeyYMLDVNXNMOVUJV-UHFFFAOYSA-N
MW401.37 g/mol
LogP1.97
Rot. Bonds3

About N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (PubChem CID 56847162) has the molecular formula C16H14F3N3O4S and a molecular weight of 401.37 g/mol. Its IUPAC name is N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
PubChem CID56847162
Molecular FormulaC16H14F3N3O4S
Molecular Weight401.37 g/mol
Exact Mass401.07
IUPAC NameN-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(NO)c1ccc2c(n1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)11-2-4-12(5-3-11)27(25,26)22-8-7-13-10(9-22)1-6-14(20-13)15(23)21-24/h1-6,24H,7-9H2,(H,21,23)
InChIKeyYMLDVNXNMOVUJV-UHFFFAOYSA-N
XLogP1.97
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (CID 56847162) is N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is O=C(NO)c1ccc2c(n1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The InChIKey is YMLDVNXNMOVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4S/c17-16(18,19)11-2-4-12(5-3-11)27(25,26)22-8-7-13-10(9-22)1-6-14(20-13)15(23)21-24/h1-6,24H,7-9H2,(H,21,23).
What are the key properties of N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide has a molecular weight of 401.37 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 56847162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).