N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide

C34H47FN2O4S — CID 163665759

IUPACN-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C34H47FN2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-37(2)42(40,41)28-22-24-31(35)32(26-28)36-34(39)30-23-21-27-19-16-17-20-29(27)33(30)38/h16-17,19-24,26,38H,3-15,18,25H2,1-2H3,(H,36,39)
InChIKeyIYHRAORAFHYDPR-UHFFFAOYSA-N
MW598.83 g/mol
LogP9.04
Rot. Bonds19

About N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide

N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 163665759) has the molecular formula C34H47FN2O4S and a molecular weight of 598.83 g/mol. Its IUPAC name is N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID163665759
Molecular FormulaC34H47FN2O4S
Molecular Weight598.83 g/mol
Exact Mass598.32
IUPAC NameN-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C34H47FN2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-37(2)42(40,41)28-22-24-31(35)32(26-28)36-34(39)30-23-21-27-19-16-17-20-29(27)33(30)38/h16-17,19-24,26,38H,3-15,18,25H2,1-2H3,(H,36,39)
InChIKeyIYHRAORAFHYDPR-UHFFFAOYSA-N
XLogP9.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 59.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
3-[butyl(methyl)sulfamoyl]-N-(2,4-difluorophenyl)benzamide
CID 109065487
N-(2-acetamidophenyl)-1-hydroxynaphthalene-2-carboxamide
CID 5133649
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 59136445
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
N-[4-[butyl(methyl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 9223899
1-N-naphthalen-1-yl-2-N,2-N-dipentylbenzene-1,2-dicarboxamide
CID 2827367
N-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-5-chloro-2-fluorobenzamide
CID 25335972
N-(2-fluoro-5-sulfamoylphenyl)-2-methylbenzamide
CID 61129789
4-hydroxy-N-methyl-3-nitro-N-pentylbenzenesulfonamide
CID 43295273
N-(3-fluoro-4-pyridinyl)-1-hydroxynaphthalene-2-carboxamide
CID 103874401
N-[5-[(3-amino-4-methylpentyl)-methylsulfamoyl]-2-fluorophenyl]acetamide
CID 119992394

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide (CID 163665759) is N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide is CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(F)c(NC(=O)c2ccc3ccccc3c2O)c1.
What is the InChIKey of N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is IYHRAORAFHYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47FN2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-37(2)42(40,41)28-22-24-31(35)32(26-28)36-34(39)30-23-21-27-19-16-17-20-29(27)33(30)38/h16-17,19-24,26,38H,3-15,18,25H2,1-2H3,(H,36,39).
What are the key properties of N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide?
N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 598.83 g/mol, XLogP of 9.04, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[hexadecyl(methyl)sulfamoyl]phenyl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 163665759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).