N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

C22H20ClFN2O3S — CID 1320355

IUPACN-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15-3-5-16(6-4-15)14-26(30(2,28)29)19-10-7-17(8-11-19)22(27)25-18-9-12-21(24)20(23)13-18/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyRSODIENGHHUZAR-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.01
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide

N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 1320355) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
PubChem CID1320355
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
SMILESCc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15-3-5-16(6-4-15)14-26(30(2,28)29)19-10-7-17(8-11-19)22(27)25-18-9-12-21(24)20(23)13-18/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyRSODIENGHHUZAR-UHFFFAOYSA-N
XLogP5.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-Butyl)-N-[2-chloro-4-(methylsulfonamido)benzyl]benzamide
CID 137631891
N-Allyl-4-(benzyl-methanesulfonyl-amino)-benzamide
CID 2260550
N-(2-chlorobenzyl)-N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]methanesulfonamide
CID 3492355
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
N-[4-(3-Chloro-phenyl)-piperazin-2-ylmethyl]-4-methanesulfonylamino-benzamide
CID 14998858
4-amino-N-(3-chloro-4-fluorophenyl)-3-sulfamoylbenzamide
CID 146301388
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 146649724
4-tert-butyl-N-[[2-chloro-4-(ethylsulfonylamino)phenyl]methyl]benzamide
CID 146649763
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-pyrrolidin-1-ylbenzamide
CID 146649764
4-tert-butyl-N-[[2-chloro-4-(propan-2-ylsulfonylamino)phenyl]methyl]benzamide
CID 146649766
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-(dimethylamino)benzamide
CID 146649767
N-(4-Chloro-benzyl)-N-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-methanesulfonamide
CID 651717

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide (CID 1320355) is N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is RSODIENGHHUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-15-3-5-16(6-4-15)14-26(30(2,28)29)19-10-7-17(8-11-19)22(27)25-18-9-12-21(24)20(23)13-18/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide?
N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 446.93 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 1320355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).