N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide

C21H28FN3O3S — CID 8948233

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1
InChIInChI=1S/C21H28FN3O3S/c1-5-25(6-2)15-17-9-7-16(8-10-17)14-23-21(26)19-13-18(11-12-20(19)22)29(27,28)24(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26)
InChIKeyXJFZZYFBXLPQST-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.85
Rot. Bonds9

About N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide (PubChem CID 8948233) has the molecular formula C21H28FN3O3S and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
PubChem CID8948233
Molecular FormulaC21H28FN3O3S
Molecular Weight421.54 g/mol
Exact Mass421.18
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1
InChIInChI=1S/C21H28FN3O3S/c1-5-25(6-2)15-17-9-7-16(8-10-17)14-23-21(26)19-13-18(11-12-20(19)22)29(27,28)24(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26)
InChIKeyXJFZZYFBXLPQST-UHFFFAOYSA-N
XLogP2.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
CID 24514466
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
2-bromo-5-(cyclopropylsulfamoyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 24504527
5-(dimethylsulfamoyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 8839430
5-(ethylsulfamoyl)-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 55910020
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 55845901
5-(diethylsulfamoyl)-2-fluoro-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748210
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-(cyclopropylmethyl)-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 34825943

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide (CID 8948233) is N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide is CCN(CC)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is XJFZZYFBXLPQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O3S/c1-5-25(6-2)15-17-9-7-16(8-10-17)14-23-21(26)19-13-18(11-12-20(19)22)29(27,28)24(3)4/h7-13H,5-6,14-15H2,1-4H3,(H,23,26).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 421.54 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 8948233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).