4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

C22H20ClFN2O4S — CID 55727433

IUPAC4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-30-14-16-4-2-3-15(11-16)13-25-22(27)17-5-10-20(23)21(12-17)26-31(28,29)19-8-6-18(24)7-9-19/h2-12,26H,13-14H2,1H3,(H,25,27)
InChIKeyZMTLNCMPIIFDBQ-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.36
Rot. Bonds8

About 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide

4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (PubChem CID 55727433) 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-[[3-(methoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
PubChem CID55727433
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
SMILESCOCc1cccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-30-14-16-4-2-3-15(11-16)13-25-22(27)17-5-10-20(23)21(12-17)26-31(28,29)19-8-6-18(24)7-9-19/h2-12,26H,13-14H2,1H3,(H,25,27)
InChIKeyZMTLNCMPIIFDBQ-UHFFFAOYSA-N
XLogP4.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 37083906
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 47080388
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-hexylbenzamide
CID 32646922
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2548852
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 46529076
N-[(3-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 46333828
N-[(3-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2333220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide (CID 55727433) is 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is COCc1cccc(CNC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)c1.
What is the InChIKey of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
The InChIKey is ZMTLNCMPIIFDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-30-14-16-4-2-3-15(11-16)13-25-22(27)17-5-10-20(23)21(12-17)26-31(28,29)19-8-6-18(24)7-9-19/h2-12,26H,13-14H2,1H3,(H,25,27).
What are the key properties of 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide?
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide has a molecular weight of 462.93 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-[[3-(methoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55727433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).