N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide

C22H21ClN2O3S — CID 155522855

IUPACN-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-16-4-2-3-5-21(16)22(26)24-14-17-6-8-18(9-7-17)15-25-29(27,28)20-12-10-19(23)11-13-20/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyAECCHBREIDXZPH-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.06
Rot. Bonds7

About N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide

N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide (PubChem CID 155522855) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
PubChem CID155522855
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC NameN-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-16-4-2-3-5-21(16)22(26)24-14-17-6-8-18(9-7-17)15-25-29(27,28)20-12-10-19(23)11-13-20/h2-13,25H,14-15H2,1H3,(H,24,26)
InChIKeyAECCHBREIDXZPH-UHFFFAOYSA-N
XLogP4.06
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
CID 130431459
4-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431460
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methyl-benzamide
CID 130431474
3-fluoro-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431477
4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2904040
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155529361
4-fluoro-N-[[4-[[(3-methylphenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155532736
4-fluoro-N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]benzamide
CID 155567744
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480
3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984858
Rac-4-{[(4-chloro-benzenesulfonyl)-(2-oxo-azepan-3-yl)-amino]-methyl}-n-cyclopropyl-benzamide
CID 11503850
4-[[(4-chlorophenyl)sulfonyl-(2-oxo-5-propan-2-ylazepan-3-yl)amino]methyl]-N-cyclopropylbenzamide
CID 11548091

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide (CID 155522855) is N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is AECCHBREIDXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-16-4-2-3-5-21(16)22(26)24-14-17-6-8-18(9-7-17)15-25-29(27,28)20-12-10-19(23)11-13-20/h2-13,25H,14-15H2,1H3,(H,24,26).
What are the key properties of N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide?
N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 428.94 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 155522855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).