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

C22H20ClFN2O4S — CID 24547198

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-26(14-15-3-8-18(30-2)9-4-15)22(27)16-5-12-20(23)21(13-16)25-31(28,29)19-10-6-17(24)7-11-19/h3-13,25H,14H2,1-2H3
InChIKeyMULXLADVUJMCTB-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.56
Rot. Bonds7

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

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 24547198) 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-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID24547198
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-26(14-15-3-8-18(30-2)9-4-15)22(27)16-5-12-20(23)21(13-16)25-31(28,29)19-10-6-17(24)7-11-19/h3-13,25H,14H2,1-2H3
InChIKeyMULXLADVUJMCTB-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-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 24546703
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
4-chloro-N-cyclopropyl-3-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 52547897
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 55727433
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28570514
4-[(2-methoxyphenyl)sulfamoyl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 26619424
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 11839556
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 26594486
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 24547198) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is MULXLADVUJMCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-26(14-15-3-8-18(30-2)9-4-15)22(27)16-5-12-20(23)21(13-16)25-31(28,29)19-10-6-17(24)7-11-19/h3-13,25H,14H2,1-2H3.
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(4-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-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 24547198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).