N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide

C18H20ClFN2O3S — CID 36556440

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-4-21-26(24,25)13-9-8-12(2)14(10-13)18(23)22(3)11-15-16(19)6-5-7-17(15)20/h5-10,21H,4,11H2,1-3H3
InChIKeyJGDGUFAHFYRJNM-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.36
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide (PubChem CID 36556440) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
PubChem CID36556440
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-4-21-26(24,25)13-9-8-12(2)14(10-13)18(23)22(3)11-15-16(19)6-5-7-17(15)20/h5-10,21H,4,11H2,1-3H3
InChIKeyJGDGUFAHFYRJNM-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 31138800
5-(ethylsulfamoyl)-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 27827677
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(prop-2-enylsulfamoyl)benzamide
CID 18112215
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 29441482
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
N-[(2-chloro-6-fluorophenyl)methyl]-5-(diethylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 39914710
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 38370916
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46522344
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide (CID 36556440) is N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide?
The InChIKey is JGDGUFAHFYRJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-4-21-26(24,25)13-9-8-12(2)14(10-13)18(23)22(3)11-15-16(19)6-5-7-17(15)20/h5-10,21H,4,11H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide has a molecular weight of 398.89 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 36556440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).