N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide

C17H17ClN2O4S — CID 21339599

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17ClN2O4S/c1-20(2)25(23,24)13-8-9-14(18)15(10-13)19-17(22)11-16(21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyBSPQKNXURZNLOP-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.80
Rot. Bonds6

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide (PubChem CID 21339599) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
PubChem CID21339599
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C17H17ClN2O4S/c1-20(2)25(23,24)13-8-9-14(18)15(10-13)19-17(22)11-16(21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyBSPQKNXURZNLOP-UHFFFAOYSA-N
XLogP2.80
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
tert-butyl-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 8904455
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 4304927
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
CID 9265560
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035389
2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
CID 16618242

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide (CID 21339599) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide?
The InChIKey is BSPQKNXURZNLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-20(2)25(23,24)13-8-9-14(18)15(10-13)19-17(22)11-16(21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide has a molecular weight of 380.85 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 21339599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).