4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C22H20ClFN2O4S — CID 24546703

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-26(14-16-5-3-4-6-21(16)30-2)22(27)15-7-12-19(23)20(13-15)25-31(28,29)18-10-8-17(24)9-11-18/h3-13,25H,14H2,1-2H3
InChIKeyXYXUYRANYZWKBB-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.56
Rot. Bonds7

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 24546703) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID24546703
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-26(14-16-5-3-4-6-21(16)30-2)22(27)15-7-12-19(23)20(13-15)25-31(28,29)18-10-8-17(24)9-11-18/h3-13,25H,14H2,1-2H3
InChIKeyXYXUYRANYZWKBB-UHFFFAOYSA-N
XLogP4.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 24547198
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 25497844
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 24546681
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
4-(furan-2-ylmethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 4794636
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 24546703) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is XYXUYRANYZWKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-26(14-16-5-3-4-6-21(16)30-2)22(27)15-7-12-19(23)20(13-15)25-31(28,29)18-10-8-17(24)9-11-18/h3-13,25H,14H2,1-2H3.
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 462.93 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 24546703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).