N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C21H24ClFN2O3S — CID 46533760

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C21H24ClFN2O3S/c1-13-10-15(11-20(14(13)2)29(27,28)24(3)4)21(26)25(16-8-9-16)12-17-18(22)6-5-7-19(17)23/h5-7,10-11,16H,8-9,12H2,1-4H3
InChIKeyWWWZXIVPHJELIR-UHFFFAOYSA-N
MW438.95 g/mol
LogP4.15
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 46533760) has the molecular formula C21H24ClFN2O3S and a molecular weight of 438.95 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID46533760
Molecular FormulaC21H24ClFN2O3S
Molecular Weight438.95 g/mol
Exact Mass438.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C21H24ClFN2O3S/c1-13-10-15(11-20(14(13)2)29(27,28)24(3)4)21(26)25(16-8-9-16)12-17-18(22)6-5-7-19(17)23/h5-7,10-11,16H,8-9,12H2,1-4H3
InChIKeyWWWZXIVPHJELIR-UHFFFAOYSA-N
XLogP4.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.95
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16606779
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methyl-3-nitrobenzamide
CID 46420693
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
CID 17491721
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 33342779
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
N-[5-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55491705
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35315095
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 35526649
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 46533760) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is WWWZXIVPHJELIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O3S/c1-13-10-15(11-20(14(13)2)29(27,28)24(3)4)21(26)25(16-8-9-16)12-17-18(22)6-5-7-19(17)23/h5-7,10-11,16H,8-9,12H2,1-4H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 438.95 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 46533760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).