4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide

C18H10BrClF3NO4S — CID 11962720

IUPAC4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl)c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C18H10BrClF3NO4S/c19-13-8-12(16(25)11-4-2-1-3-10(11)13)17(26)24-15-6-5-9(7-14(15)20)29(27,28)18(21,22)23/h1-8,25H,(H,24,26)
InChIKeyKJOGBXIEVYGKHH-UHFFFAOYSA-N
MW508.70 g/mol
LogP5.51
Rot. Bonds3

About 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide

4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 11962720) has the molecular formula C18H10BrClF3NO4S and a molecular weight of 508.70 g/mol. Its IUPAC name is 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID11962720
Molecular FormulaC18H10BrClF3NO4S
Molecular Weight508.70 g/mol
Exact Mass506.92
IUPAC Name4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl)c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C18H10BrClF3NO4S/c19-13-8-12(16(25)11-4-2-1-3-10(11)13)17(26)24-15-6-5-9(7-14(15)20)29(27,28)18(21,22)23/h1-8,25H,(H,24,26)
InChIKeyKJOGBXIEVYGKHH-UHFFFAOYSA-N
XLogP5.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxy-3-methylnaphthalene-2-carboxamide
CID 11962758
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methoxybenzamide
CID 11962550
5-chloro-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-3-methyl-6-propan-2-ylbenzamide
CID 57432703
3-(1-adamantyl)-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-5-methylbenzamide
CID 11962385
N-(2-chloro-4-sulfamoylphenyl)-2-iodobenzamide
CID 43246729
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-5-(dimethylsulfamoyl)-2-hydroxy-6-methylbenzamide
CID 11962803
3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methyl-5-(4-methylsulfonylphenyl)benzamide
CID 11962318
5-tert-butyl-3-[[2-chloro-4-(trifluoromethylsulfonyl)phenyl]carbamoyl]-4-hydroxy-2-methylbenzenesulfinate
CID 59191196
2-(benzenesulfonamido)-N-phenyl-5-(trifluoromethylsulfonyl)benzamide
CID 166636313
5-benzylsulfinyl-3-tert-butyl-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-2-hydroxy-6-methylbenzamide
CID 57432688
4-(anthracene-9-carbonylamino)-3-chlorobenzenesulfonic acid
CID 139945425
4-bromo-N-(4-bromo-2-chlorophenyl)-2-hydroxybenzamide
CID 63524501

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide (CID 11962720) is 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Cl)c1cc(Br)c2ccccc2c1O.
What is the InChIKey of 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is KJOGBXIEVYGKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClF3NO4S/c19-13-8-12(16(25)11-4-2-1-3-10(11)13)17(26)24-15-6-5-9(7-14(15)20)29(27,28)18(21,22)23/h1-8,25H,(H,24,26).
What are the key properties of 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide?
4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 508.70 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-chloro-4-(trifluoromethylsulfonyl)phenyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 11962720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).