N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide

C23H23NO3S — CID 10883729

IUPACN-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-23(2,3)18-13-15-19(16-14-18)28(26,27)24-21-12-8-7-11-20(21)22(25)17-9-5-4-6-10-17/h4-16,24H,1-3H3
InChIKeyGXHYCSVITJVWJU-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.02
Rot. Bonds5

About N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide

N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide (PubChem CID 10883729) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
PubChem CID10883729
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO3S/c1-23(2,3)18-13-15-19(16-14-18)28(26,27)24-21-12-8-7-11-20(21)22(25)17-9-5-4-6-10-17/h4-16,24H,1-3H3
InChIKeyGXHYCSVITJVWJU-UHFFFAOYSA-N
XLogP5.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.02
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

2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-(2-benzoylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 58664932
N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
CID 71417364
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
4-methyl-N-[2-[2-[4-(trifluoromethyl)benzoyl]phenyl]phenyl]benzenesulfonamide
CID 122233649
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
CID 11212994
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
(E)-N-(2-benzoylphenyl)-3-(4-tert-butylphenyl)prop-2-enamide
CID 99998171
4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 24988556

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide?
The IUPAC name of N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide (CID 10883729) is N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide?
The canonical SMILES for N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide?
The InChIKey is GXHYCSVITJVWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-23(2,3)18-13-15-19(16-14-18)28(26,27)24-21-12-8-7-11-20(21)22(25)17-9-5-4-6-10-17/h4-16,24H,1-3H3.
What are the key properties of N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide?
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide is sourced from PubChem (CID 10883729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).