N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide

C20H24ClFN2O4S — CID 39914710

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C20H24ClFN2O4S/c1-5-24(6-2)29(26,27)14-10-11-19(28-4)15(12-14)20(25)23(3)13-16-17(21)8-7-9-18(16)22/h7-12H,5-6,13H2,1-4H3
InChIKeyANNATJCQKUUOAX-UHFFFAOYSA-N
MW442.94 g/mol
LogP3.79
Rot. Bonds8

About N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide (PubChem CID 39914710) has the molecular formula C20H24ClFN2O4S and a molecular weight of 442.94 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
PubChem CID39914710
Molecular FormulaC20H24ClFN2O4S
Molecular Weight442.94 g/mol
Exact Mass442.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C20H24ClFN2O4S/c1-5-24(6-2)29(26,27)14-10-11-19(28-4)15(12-14)20(25)23(3)13-16-17(21)8-7-9-18(16)22/h7-12H,5-6,13H2,1-4H3
InChIKeyANNATJCQKUUOAX-UHFFFAOYSA-N
XLogP3.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 39912911
2-chloro-5-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 31138592
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100792827
5-(diethylsulfamoyl)-2-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 17411092
N-[(2-chloro-6-fluorophenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 18136776
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126013776
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide (CID 39914710) is N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide?
The InChIKey is ANNATJCQKUUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O4S/c1-5-24(6-2)29(26,27)14-10-11-19(28-4)15(12-14)20(25)23(3)13-16-17(21)8-7-9-18(16)22/h7-12H,5-6,13H2,1-4H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide has a molecular weight of 442.94 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 39914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).