N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide

C24H25ClN2O3S — CID 24687613

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1C
InChIInChI=1S/C24H25ClN2O3S/c1-5-27(20-9-7-6-8-10-20)31(29,30)22-15-19(12-11-17(22)3)24(28)26-23-18(4)13-16(2)14-21(23)25/h6-15H,5H2,1-4H3,(H,26,28)
InChIKeyRBDFSGQRMUAEGR-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.73
Rot. Bonds6

About N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide

N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 24687613) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
PubChem CID24687613
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1C
InChIInChI=1S/C24H25ClN2O3S/c1-5-27(20-9-7-6-8-10-20)31(29,30)22-15-19(12-11-17(22)3)24(28)26-23-18(4)13-16(2)14-21(23)25/h6-15H,5H2,1-4H3,(H,26,28)
InChIKeyRBDFSGQRMUAEGR-UHFFFAOYSA-N
XLogP5.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 30540723
(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2385677
N-(2-chloro-4,6-dimethylphenyl)-3-(dipropylsulfamoyl)benzamide
CID 26200265
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-methylbenzamide
CID 4849587
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2404618
4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide (CID 24687613) is N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1C.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is RBDFSGQRMUAEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-5-27(20-9-7-6-8-10-20)31(29,30)22-15-19(12-11-17(22)3)24(28)26-23-18(4)13-16(2)14-21(23)25/h6-15H,5H2,1-4H3,(H,26,28).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 457.00 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 24687613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).