N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide

C12H17ClN2O3S — CID 75424969

IUPACN-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-9(6-10-4-3-5-11(13)7-10)15-12(16)8-19(17,18)14-2/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)
InChIKeyQERFKCPAEGYJPL-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.94
Rot. Bonds6

About N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide

N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide (PubChem CID 75424969) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
PubChem CID75424969
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC NameN-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)NC(C)Cc1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O3S/c1-9(6-10-4-3-5-11(13)7-10)15-12(16)8-19(17,18)14-2/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16)
InChIKeyQERFKCPAEGYJPL-UHFFFAOYSA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 45269123
CID 45269123
CID 3245010
CID 3245010
CID 5068934
CID 5068934
CID 4430301
CID 4430301
CID 71456138
CID 71456138
CID 71456139
CID 71456139
CID 71456140
CID 71456140
CID 71459857
CID 71459857
CID 71461568
CID 71461568
CID 42961433
CID 42961433
CID 44268396
CID 44268396
CID 45811686
CID 45811686

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide (CID 75424969) is N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)NC(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
The InChIKey is QERFKCPAEGYJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9(6-10-4-3-5-11(13)7-10)15-12(16)8-19(17,18)14-2/h3-5,7,9,14H,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide?
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide has a molecular weight of 304.80 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 75424969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).