[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium

C13H21ClN3O3S+ — CID 8867441

IUPAC[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-9(2)15-8-13(18)16-12-7-10(5-6-11(12)14)21(19,20)17(3)4/h5-7,9,15H,8H2,1-4H3,(H,16,18)/p+1
InChIKeyPLZPECYNORDKRP-UHFFFAOYSA-O
MW334.85 g/mol
LogP0.50
Rot. Bonds6

About [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium (PubChem CID 8867441) has the molecular formula C13H21ClN3O3S+ and a molecular weight of 334.85 g/mol. Its IUPAC name is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
PubChem CID8867441
Molecular FormulaC13H21ClN3O3S+
Molecular Weight334.85 g/mol
Exact Mass334.10
IUPAC Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-9(2)15-8-13(18)16-12-7-10(5-6-11(12)14)21(19,20)17(3)4/h5-7,9,15H,8H2,1-4H3,(H,16,18)/p+1
InChIKeyPLZPECYNORDKRP-UHFFFAOYSA-O
XLogP0.50
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 8904455
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 7434668
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(cyclooctylamino)acetamide
CID 9265560
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4804966
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 4869977
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(1-thiophen-2-ylethylamino)propanamide
CID 112769589
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7654876

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium?
The IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium (CID 8867441) is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium.
What is the SMILES notation for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium?
The canonical SMILES for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium is CC(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium?
The InChIKey is PLZPECYNORDKRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20ClN3O3S/c1-9(2)15-8-13(18)16-12-7-10(5-6-11(12)14)21(19,20)17(3)4/h5-7,9,15H,8H2,1-4H3,(H,16,18)/p+1.
What are the key properties of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium?
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium has a molecular weight of 334.85 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium is sourced from PubChem (CID 8867441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).