2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide

C23H28Cl2N2O3S — CID 5306242

IUPAC2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)C2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3S/c1-27(2)31(29,30)22-13-18(20(24)14-21(22)25)23(28)26-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17,19H,4,7-8,11-12,15H2,1-2H3,(H,26,28)
InChIKeyLQWOGZBFRJRFCQ-UHFFFAOYSA-N
MW483.46 g/mol
LogP5.34
Rot. Bonds7

About 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide

2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide (PubChem CID 5306242) has the molecular formula C23H28Cl2N2O3S and a molecular weight of 483.46 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide
PubChem CID5306242
Molecular FormulaC23H28Cl2N2O3S
Molecular Weight483.46 g/mol
Exact Mass482.12
IUPAC Name2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)C2CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C23H28Cl2N2O3S/c1-27(2)31(29,30)22-13-18(20(24)14-21(22)25)23(28)26-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17,19H,4,7-8,11-12,15H2,1-2H3,(H,26,28)
InChIKeyLQWOGZBFRJRFCQ-UHFFFAOYSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 16763255
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 1259983
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7358811
N-[2-(1-adamantyl)ethyl]-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4919001
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 7354302
2,4-dichloro-5-(dimethylsulfamoyl)-N-pyridin-3-ylbenzamide
CID 1260020
2-chloro-5-(dimethylsulfamoyl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301674
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide (CID 5306242) is 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCC(c2ccccc2)C2CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide?
The InChIKey is LQWOGZBFRJRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3S/c1-27(2)31(29,30)22-13-18(20(24)14-21(22)25)23(28)26-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17,19H,4,7-8,11-12,15H2,1-2H3,(H,26,28).
What are the key properties of 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide?
2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide has a molecular weight of 483.46 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 5306242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).