N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide

C20H15ClFNO3S — CID 100695353

IUPACN-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F
InChIInChI=1S/C20H15ClFNO3S/c1-13-11-16(8-9-18(13)22)27(25,26)23-19-10-7-15(21)12-17(19)20(24)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyDXIJTEVXFNWYIV-UHFFFAOYSA-N
MW403.86 g/mol
LogP4.82
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 100695353) has the molecular formula C20H15ClFNO3S and a molecular weight of 403.86 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
PubChem CID100695353
Molecular FormulaC20H15ClFNO3S
Molecular Weight403.86 g/mol
Exact Mass403.04
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F
InChIInChI=1S/C20H15ClFNO3S/c1-13-11-16(8-9-18(13)22)27(25,26)23-19-10-7-15(21)12-17(19)20(24)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyDXIJTEVXFNWYIV-UHFFFAOYSA-N
XLogP4.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
CID 71417364
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 701142
N-(2-benzoyl-4-chlorophenyl)-4-bromo-5-methylthiophene-2-sulfonamide
CID 58979539
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871
N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
CID 90942429
N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
CID 87059878
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide (CID 100695353) is N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is DXIJTEVXFNWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO3S/c1-13-11-16(8-9-18(13)22)27(25,26)23-19-10-7-15(21)12-17(19)20(24)14-5-3-2-4-6-14/h2-12,23H,1H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 403.86 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 100695353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).