N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide

C23H12F5NO3S — CID 101011250

IUPACN-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESO=C(c1ccccc1)N(c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H12F5NO3S/c24-17-18(25)20(27)22(21(28)19(17)26)29(23(30)14-7-2-1-3-8-14)33(31,32)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKeyASUCQTYVMKTCHP-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.57
Rot. Bonds4

About N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide

N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide (PubChem CID 101011250) has the molecular formula C23H12F5NO3S and a molecular weight of 477.41 g/mol. Its IUPAC name is N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide.

Molecular Properties

Compound NameN-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
PubChem CID101011250
Molecular FormulaC23H12F5NO3S
Molecular Weight477.41 g/mol
Exact Mass477.05
IUPAC NameN-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
SMILESO=C(c1ccccc1)N(c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H12F5NO3S/c24-17-18(25)20(27)22(21(28)19(17)26)29(23(30)14-7-2-1-3-8-14)33(31,32)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKeyASUCQTYVMKTCHP-UHFFFAOYSA-N
XLogP5.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide 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

4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 3436129
4-methyl-N-[4-[(4-methylbenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 5128744
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
benzamide;naphthalene-2-sulfonamide
CID 160825471
N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
CID 19211365
naphthalene-2-sulfonic acid
CID 8420
2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 977503
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
CID 19210794
CID 87246277
CID 87246277
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The IUPAC name of N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide (CID 101011250) is N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide.
What is the SMILES notation for N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The canonical SMILES for N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide is O=C(c1ccccc1)N(c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
The InChIKey is ASUCQTYVMKTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F5NO3S/c24-17-18(25)20(27)22(21(28)19(17)26)29(23(30)14-7-2-1-3-8-14)33(31,32)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H.
What are the key properties of N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide?
N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide has a molecular weight of 477.41 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide is sourced from PubChem (CID 101011250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).