N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide

C20H25ClN2O3S — CID 8920403

IUPACN-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C20H25ClN2O3S/c1-6-14-9-11-18(21)16(7-2)19(14)22-20(24)17-12-15(10-8-13(17)3)27(25,26)23(4)5/h8-12H,6-7H2,1-5H3,(H,22,24)
InChIKeyHNXVVUSIKZWZKH-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.28
Rot. Bonds6

About N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide

N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide (PubChem CID 8920403) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
PubChem CID8920403
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C20H25ClN2O3S/c1-6-14-9-11-18(21)16(7-2)19(14)22-20(24)17-12-15(10-8-13(17)3)27(25,26)23(4)5/h8-12H,6-7H2,1-5H3,(H,22,24)
InChIKeyHNXVVUSIKZWZKH-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
5-chloro-N-(3-chloro-2,6-diethylphenyl)-2-iodobenzamide
CID 38908667
2-chloro-5-(dimethylsulfamoyl)-N-(5-fluoro-2-methylphenyl)benzamide
CID 4650179
N-(2,6-diethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26880459
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-(5-acetyl-2-methylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110618400
N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9393889
2-chloro-5-(dimethylsulfamoyl)-N-(2-hydroxynaphthalen-1-yl)benzamide
CID 8797229
N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26198480
3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide (CID 8920403) is N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide is CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
The InChIKey is HNXVVUSIKZWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-6-14-9-11-18(21)16(7-2)19(14)22-20(24)17-12-15(10-8-13(17)3)27(25,26)23(4)5/h8-12H,6-7H2,1-5H3,(H,22,24).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide?
N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide has a molecular weight of 408.95 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 8920403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).