3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide

C11H16ClN3O3S — CID 61127654

IUPAC3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O3S/c1-15(2)11(16)5-6-14-19(17,18)10-7-8(12)3-4-9(10)13/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyDLXLUHUZEAEMDH-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.68
Rot. Bonds5

About 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide

3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 61127654) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
PubChem CID61127654
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNS(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O3S/c1-15(2)11(16)5-6-14-19(17,18)10-7-8(12)3-4-9(10)13/h3-4,7,14H,5-6,13H2,1-2H3
InChIKeyDLXLUHUZEAEMDH-UHFFFAOYSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 54888759
3-[2-[(2-amino-5-chlorophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108543
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
2-amino-5-chloro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 54888381
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
2-amino-5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]benzenesulfonamide
CID 83108494
3-[(4-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43361136

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide (CID 61127654) is 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNS(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is DLXLUHUZEAEMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-15(2)11(16)5-6-14-19(17,18)10-7-8(12)3-4-9(10)13/h3-4,7,14H,5-6,13H2,1-2H3.
What are the key properties of 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide?
3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 305.79 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61127654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).