N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide

C20H16FNO3S — CID 169372767

IUPACN-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16FNO3S/c1-14-10-12-16(13-11-14)26(24,25)22-19-17(8-5-9-18(19)21)20(23)15-6-3-2-4-7-15/h2-13,22H,1H3
InChIKeyUOCGKGBXZIVPCF-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.17
Rot. Bonds5

About N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide

N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide (PubChem CID 169372767) has the molecular formula C20H16FNO3S and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
PubChem CID169372767
Molecular FormulaC20H16FNO3S
Molecular Weight369.42 g/mol
Exact Mass369.08
IUPAC NameN-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16FNO3S/c1-14-10-12-16(13-11-14)26(24,25)22-19-17(8-5-9-18(19)21)20(23)15-6-3-2-4-7-15/h2-13,22H,1H3
InChIKeyUOCGKGBXZIVPCF-UHFFFAOYSA-N
XLogP4.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.17
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-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
3-fluoro-2-[(4-iodophenyl)sulfonylamino]benzoic acid
CID 80583769
N-[2-(2-fluorobenzoyl)-4-iodophenyl]-4-methylbenzenesulfonamide
CID 91408660
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide
CID 122233649
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 175305884
N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
CID 71417364
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
lithium;hydride;N-(4-methylphenyl)sulfonylbenzamide
CID 173095463
N-(4-benzoyl-2-phenyl-5-propyl-1H-pyrrol-3-yl)-4-methylbenzenesulfonamide
CID 122367435

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide (CID 169372767) is N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(F)cccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is UOCGKGBXZIVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3S/c1-14-10-12-16(13-11-14)26(24,25)22-19-17(8-5-9-18(19)21)20(23)15-6-3-2-4-7-15/h2-13,22H,1H3.
What are the key properties of N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide?
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 369.42 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).