N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide

C23H18ClN3O3S — CID 58883582

IUPACN-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H18ClN3O3S/c24-19-9-12-22(21(15-19)23(28)18-5-2-1-3-6-18)26-31(29,30)20-10-7-17(8-11-20)16-27-14-4-13-25-27/h1-15,26H,16H2
InChIKeyYJHFOEMZPALREI-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.62
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide (PubChem CID 58883582) has the molecular formula C23H18ClN3O3S and a molecular weight of 451.94 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
PubChem CID58883582
Molecular FormulaC23H18ClN3O3S
Molecular Weight451.94 g/mol
Exact Mass451.08
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C23H18ClN3O3S/c24-19-9-12-22(21(15-19)23(28)18-5-2-1-3-6-18)26-31(29,30)20-10-7-17(8-11-20)16-27-14-4-13-25-27/h1-15,26H,16H2
InChIKeyYJHFOEMZPALREI-UHFFFAOYSA-N
XLogP4.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(morpholin-4-ylmethyl)benzenesulfonamide;ethane
CID 90942429
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
N-[4-chloro-2-(pyridine-2-carbonyl)phenyl]-4-ethylbenzenesulfonamide
CID 58979554
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-methyl-4-[[4-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzamide
CID 55814374
N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
3,4-difluoro-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205263
N-(2-benzoyl-4-bromophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 121041083
1-benzoyl-N-(2-benzoyl-4-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247871

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide (CID 58883582) is N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide is O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide?
The InChIKey is YJHFOEMZPALREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3S/c24-19-9-12-22(21(15-19)23(28)18-5-2-1-3-6-18)26-31(29,30)20-10-7-17(8-11-20)16-27-14-4-13-25-27/h1-15,26H,16H2.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide has a molecular weight of 451.94 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 58883582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).