2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide

C19H21Cl3N2O3S — CID 60607437

IUPAC2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H21Cl3N2O3S/c1-19(2,12-5-7-16(21)17(22)9-12)11-23-18(25)14-10-13(6-8-15(14)20)28(26,27)24(3)4/h5-10H,11H2,1-4H3,(H,23,25)
InChIKeyRKTZBORLUDGRLH-UHFFFAOYSA-N
MW463.81 g/mol
LogP4.60
Rot. Bonds6

About 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide

2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide (PubChem CID 60607437) has the molecular formula C19H21Cl3N2O3S and a molecular weight of 463.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
PubChem CID60607437
Molecular FormulaC19H21Cl3N2O3S
Molecular Weight463.81 g/mol
Exact Mass462.03
IUPAC Name2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H21Cl3N2O3S/c1-19(2,12-5-7-16(21)17(22)9-12)11-23-18(25)14-10-13(6-8-15(14)20)28(26,27)24(3)4/h5-10H,11H2,1-4H3,(H,23,25)
InChIKeyRKTZBORLUDGRLH-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60607198
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795
2-chloro-5-(dimethylsulfamoyl)-N-(4-methylpentyl)benzamide
CID 32612809
2-chloro-5-(dimethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]benzamide
CID 8839657
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-(dimethylsulfamoyl)-N-[2-(furan-2-yl)ethyl]benzamide
CID 8916939
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
5-amino-2-chloro-N-(2-methyl-2-phenylpropyl)benzamide
CID 61140358
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
2-chloro-5-(dimethylsulfamoyl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide (CID 60607437) is 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide?
The InChIKey is RKTZBORLUDGRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2O3S/c1-19(2,12-5-7-16(21)17(22)9-12)11-23-18(25)14-10-13(6-8-15(14)20)28(26,27)24(3)4/h5-10H,11H2,1-4H3,(H,23,25).
What are the key properties of 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide?
2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide has a molecular weight of 463.81 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 60607437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).