N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide

C21H19ClN2O3S — CID 10093266

IUPACN-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-2-23-17-9-11-18(12-10-17)28(26,27)24-20-13-8-16(22)14-19(20)21(25)15-6-4-3-5-7-15/h3-14,23-24H,2H2,1H3
InChIKeyMOLAXMLWFRJKJU-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.80
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide (PubChem CID 10093266) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
PubChem CID10093266
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-2-23-17-9-11-18(12-10-17)28(26,27)24-20-13-8-16(22)14-19(20)21(25)15-6-4-3-5-7-15/h3-14,23-24H,2H2,1H3
InChIKeyMOLAXMLWFRJKJU-UHFFFAOYSA-N
XLogP4.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
N-(2-benzoyl-4-chlorophenyl)-4-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
CID 90942429
N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 10073118
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
N-(2-benzoyl-4-chlorophenyl)-2-nitrosobenzenesulfonamide
CID 87059878
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide (CID 10093266) is N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is MOLAXMLWFRJKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-2-23-17-9-11-18(12-10-17)28(26,27)24-20-13-8-16(22)14-19(20)21(25)15-6-4-3-5-7-15/h3-14,23-24H,2H2,1H3.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 414.91 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 10093266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).