N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide

C19H13ClF3NO4S — CID 11962758

IUPACN-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2ccccc2c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF3NO4S/c1-10-8-11-4-2-3-5-13(11)17(25)16(10)18(26)24-15-7-6-12(9-14(15)20)29(27,28)19(21,22)23/h2-9,25H,1H3,(H,24,26)
InChIKeyFNPMGSDUNSZLIK-UHFFFAOYSA-N
MW443.83 g/mol
LogP5.05
Rot. Bonds3

About N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide

N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide (PubChem CID 11962758) has the molecular formula C19H13ClF3NO4S and a molecular weight of 443.83 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide
PubChem CID11962758
Molecular FormulaC19H13ClF3NO4S
Molecular Weight443.83 g/mol
Exact Mass443.02
IUPAC NameN-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide
SMILESCc1cc2ccccc2c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF3NO4S/c1-10-8-11-4-2-3-5-13(11)17(25)16(10)18(26)24-15-7-6-12(9-14(15)20)29(27,28)19(21,22)23/h2-9,25H,1H3,(H,24,26)
InChIKeyFNPMGSDUNSZLIK-UHFFFAOYSA-N
XLogP5.05
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.83
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide
CID 57432703
4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
CID 11962720
4-(anthracene-9-carbonylamino)-3-chlorobenzenesulfonic acid
CID 139945425
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-(dimethylsulfamoyl)-2-hydroxy-6-methylbenzamide
CID 11962803
5-tert-butyl-3-[[2-chloro-4-(trifluoromethylsulfonyl)phenyl]carbamoyl]-4-hydroxy-2-methylbenzenesulfinate
CID 59191196
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-propylsulfanylbenzamide
CID 57432686
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 11962318
5-benzylsulfinyl-3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methylbenzamide
CID 57432688
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methoxybenzamide
CID 11962550
3-(1-adamantyl)-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methylbenzamide
CID 11962385
3-(1-adamantyl)-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 11962390
3-tert-butyl-2-hydroxy-6-methyl-5-methylsulfinyl-N-[2-methyl-4-(trifluoromethylsulfonyl)phenyl]benzamide
CID 57432667

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide (CID 11962758) is N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide is Cc1cc2ccccc2c(O)c1C(=O)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide?
The InChIKey is FNPMGSDUNSZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO4S/c1-10-8-11-4-2-3-5-13(11)17(25)16(10)18(26)24-15-7-6-12(9-14(15)20)29(27,28)19(21,22)23/h2-9,25H,1H3,(H,24,26).
What are the key properties of N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide?
N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide has a molecular weight of 443.83 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 11962758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).