N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide

C15H23ClN2O3S — CID 75477120

IUPACN-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide
SMILESCN(C)S(=O)(=O)CC(=O)NCC(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3S/c1-15(2,9-12-6-5-7-13(16)8-12)11-17-14(19)10-22(20,21)18(3)4/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyDVCPXOGBCACWHB-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.92
Rot. Bonds7

About N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide

N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide (PubChem CID 75477120) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide
PubChem CID75477120
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide
SMILESCN(C)S(=O)(=O)CC(=O)NCC(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O3S/c1-15(2,9-12-6-5-7-13(16)8-12)11-17-14(19)10-22(20,21)18(3)4/h5-8H,9-11H2,1-4H3,(H,17,19)
InChIKeyDVCPXOGBCACWHB-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide?
The IUPAC name of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide (CID 75477120) is N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide is CN(C)S(=O)(=O)CC(=O)NCC(C)(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide?
The InChIKey is DVCPXOGBCACWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-15(2,9-12-6-5-7-13(16)8-12)11-17-14(19)10-22(20,21)18(3)4/h5-8H,9-11H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide?
N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide has a molecular weight of 346.88 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-2,2-dimethylpropyl]-2-(dimethylsulfamoyl)acetamide is sourced from PubChem (CID 75477120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).